FOR_SOLICITATION_Chemical_List_FY2019.xlsx

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CHEMICAL LIST - ATTACHMENT 2

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GC and LC

NameMWMolecular FormulaInChIKey (No stereochemistry)InChIKeySMILESInChICNC_IDStructure_IDamount (mg)PurityPRICE
2-phenoxyacetaldehyde136.15C8H8O2XFFILAFLGDUMBFXFFILAFLGDUMBF-UHFFFAOYSA-NO=CCOc1ccccc1InChI=1S/C8H8O2/c9-6-7-10-8-4-2-1-3-5-8/h1-6H,7H240861664027441613195
1-[4-(difluoromethoxy)phenyl]ethanamine187.19C9H11O1N1F2RTLQRHINHVOHHHRTLQRHINHVOHHH-UHFFFAOYSA-NCC(N)c1ccc(OC(F)F)cc1InChI=1S/C9H11F2NO/c1-6(12)7-2-4-8(5-3-7)13-9(10)11/h2-6,9H,12H2,1H324932325562645458192
2,3-dihydro-1,4-benzodioxin-6-ylmethanol166.18C9H10O3FFLHNBGNAWYMRHFFLHNBGNAWYMRH-UHFFFAOYSA-NOCc1ccc2c(c1)OCCO2InChI=1S/C9H10O3/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5,10H,3-4,6H2105906992028438446190
5-fluoro-6-methyl-4(3H)-pyrimidinone128.11C5H5O1N2F1JLXKUJWGTMEFDDJLXKUJWGTMEFDD-UHFFFAOYSA-NCc1ncnc(O)c1FInChI=1S/C5H5FN2O/c1-3-4(6)5(9)8-2-7-3/h2H,1H3,(H,7,8,9)129962137028501898190
Bis-(2,5-Dimethylphenyl)disulfide274.45C16H18S2LUGHQYFCYGQCLKLUGHQYFCYGQCLK-UHFFFAOYSA-NCc1ccc(C)c(SSc2cc(C)ccc2C)c1InChI=1S/C16H18S2/c1-11-5-7-13(3)15(9-11)17-18-16-10-12(2)6-8-14(16)4/h5-10H,1-4H38812724128125014190
7-Fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole175.21C11H10N1F1UKPAYQUYANHPBOUKPAYQUYANHPBO-UHFFFAOYSA-NFc1ccc2[nH]c3c(c2c1)CCC3InChI=1S/C11H10FN/c12-7-4-5-11-9(6-7)8-2-1-3-10(8)13-11/h4-6,13H,1-3H21762240162187612532197
2-(Trifluoromethoxy)phenylhydrazine Hydrochloride192.14C7H8O1N2Cl1F3DNOYOQWVIBGWPGDNOYOQWVIBGWPG-UHFFFAOYSA-NNNc1ccccc1OC(F)(F)FInChI=1S/C7H7F3N2O/c8-7(9,10)13-6-4-2-1-3-5(6)12-11/h1-4,12H,11H2402222754127637399190
7-methyl-3-phenyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one328.46C17H16O1N2S2IVSIHDBMSUYSAHIVSIHDBMSUYSAH-UHFFFAOYSA-NCC1CCc2c(sc3[nH]c(=S)n(-c4ccccc4)c(=O)c23)C1InChI=1S/C17H16N2OS2/c1-10-7-8-12-13(9-10)22-15-14(12)16(20)19(17(21)18-15)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,18,21)23939615727381278192
2-((4-METHOXY-3-NITROBENZYL)SULFONYL)ACETIC ACID289.26C10H11O7N1S1ZHUCRFJQVSHBJRZHUCRFJQVSHBJR-UHFFFAOYSA-NCOc1ccc(CS(=O)(=O)CC(=O)O)cc1[N+](=O)[O-]InChI=1S/C10H11NO7S/c1-18-9-3-2-7(4-8(9)11(14)15)5-19(16,17)6-10(12)13/h2-4H,5-6H2,1H3,(H,12,13)152195032648698093195
4-(4-Carboxy-3-fluorophenyl)-2-fluorobenzoic acid278.21C14H8O4F2PSAXGLIYDQKPDKPSAXGLIYDQKPDK-UHFFFAOYSA-NO=C(O)c1ccc(-c2ccc(C(=O)O)c(F)c2)cc1FInChI=1S/C14H8F2O4/c15-11-5-7(1-3-9(11)13(17)18)8-2-4-10(14(19)20)12(16)6-8/h1-6H,(H,17,18)(H,19,20)329170701326609697195
5-hydroxy-4,4-dimethylpentanenitrile127.19C7H13O1N1LPRMANDJSIXLBPLPRMANDJSIXLBP-UHFFFAOYSA-NCC(C)(CO)CCC#NInChI=1S/C7H13NO/c1-7(2,6-9)4-3-5-8/h9H,3-4,6H2,1-2H3106944986929061086190
2-CYCLOHEXYL-ETHYL TOLUENE-4-SULFONATE282.4C15H22O3S1UKXWRHNPGQFSDDUKXWRHNPGQFSDD-UHFFFAOYSA-NCc1ccc(S(=O)(=O)OCCC2CCCCC2)cc1InChI=1S/C15H22O3S/c1-13-7-9-15(10-8-13)19(16,17)18-12-11-14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H36752973367529317195
ethyl 2-{[(4-fluorophenyl)methyl]amino}acetate211.24C11H14O2N1F1UESJBBBCMQPVTFUESJBBBCMQPVTF-UHFFFAOYSA-NCCOC(=O)CNCc1ccc(F)cc1InChI=1S/C11H14FNO2/c1-2-15-11(14)8-13-7-9-3-5-10(12)6-4-9/h3-6,13H,2,7-8H2,1H341316723037420679195
6-Bromo-4-chloro-5H-pyrrolo[3,2-d]pyrimidine232.47C6H3N3Cl1Br1IYPTWTNEWAVBBMIYPTWTNEWAVBBM-UHFFFAOYSA-NClc1ncnc2cc(Br)[nH]c12InChI=1S/C6H3BrClN3/c7-4-1-3-5(11-4)6(8)10-2-9-3/h1-2,11H1762283212308349958197
2-fluoroethanamine hydrochloride63.07C2H7N1Cl1F1FURHRJBOFNDYTGFURHRJBOFNDYTG-UHFFFAOYSA-NNCCFInChI=1S/C2H6FN/c3-1-2-4/h1-2,4H246562675828807953190
3-(trifluoromethyl)benzenecarboximidamide hydrochloride188.15C8H8N2Cl1F3QDVHJZUOARUZMEQDVHJZUOARUZME-UHFFFAOYSA-NN=C(N)c1cccc(C(F)(F)F)c1InChI=1S/C8H7F3N2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H3,12,13)46563818828479447190
3-(2-CHLOROPHENYL)PYRROLIDINE HCL181.67C10H13N1Cl2RCQFNQQYVSNBOJRCQFNQQYVSNBOJ-UHFFFAOYSA-NClc1ccccc1C1CCNC1InChI=1S/C10H12ClN/c11-10-4-2-1-3-9(10)8-5-6-12-7-8/h1-4,8,12H,5-7H2370310550111877885195
2-methyl-2-phenylpropanoic acid164.2C10H12O2YYEROYLAYAVZNWYYEROYLAYAVZNW-UHFFFAOYSA-NCC(C)(C(=O)O)c1ccccc1InChI=1S/C10H12O2/c1-10(2,9(11)12)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,11,12)46563496328419813190
4-[(4-oxo-1,4-dihydro-2-pyrimidinyl)amino]benzonitrile212.21C11H8O1N4BBNOJNASJQRRSHBBNOJNASJQRRSH-UHFFFAOYSA-NN#Cc1ccc(Nc2nccc(O)n2)cc1InChI=1S/C11H8N4O/c12-7-8-1-3-9(4-2-8)14-11-13-6-5-10(16)15-11/h1-6H,(H2,13,14,15,16)309658671112860066195
N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide239.36C13H25O1N3AYCREYAYPSLJPZAYCREYAYPSLJPZ-UHFFFAOYSA-NCN1CCC(N(C)C(=O)C2CCNCC2)CC1InChI=1S/C13H25N3O/c1-15-9-5-12(6-10-15)16(2)13(17)11-3-7-14-8-4-11/h11-12,14H,3-10H2,1-2H3413173560121353459195
tert-butyl N-[(5-bromo-2-thienyl)methyl]carbamate292.2C10H14O2N1Br1S1CVNITIPQHIGCKICVNITIPQHIGCKI-UHFFFAOYSA-NCC(C)(C)OC(=O)NCc1ccc(Br)s1InChI=1S/C10H14BrNO2S/c1-10(2,3)14-9(13)12-6-7-4-5-8(11)15-7/h4-5H,6H2,1-3H3,(H,12,13)32177435434980641192
N4,N6-di(2-furylmethyl)-5-nitropyrimidine-4,6-diamine315.29C14H13O4N5YAKCXRCZVYGCIPYAKCXRCZVYGCIP-UHFFFAOYSA-NO=[N+]([O-])c1c(NCc2ccco2)ncnc1NCc1ccco1InChI=1S/C14H13N5O4/c20-19(21)12-13(15-7-10-3-1-5-22-10)17-9-18-14(12)16-8-11-4-2-6-23-11/h1-6,9H,7-8H2,(H2,15,16,17,18)19610974028703198192
ethyl 1,6-dimethyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate319.32C15H17O5N3AJTGDBABXFZHMVAJTGDBABXFZHMV-UHFFFAOYSA-NCCOC(=O)C1=C(C)N(C)C(=O)NC1c1cccc([N+](=O)[O-])c1InChI=1S/C15H17N3O5/c1-4-23-14(19)12-9(2)17(3)15(20)16-13(12)10-6-5-7-11(8-10)18(21)22/h5-8,13H,4H2,1-3H3,(H,16,20)34354981027121084190
3-(2-chloroanilino)propanoic acid199.64C9H10O2N1Cl1IFEQXLURIGIJNKIFEQXLURIGIJNK-UHFFFAOYSA-NO=C(O)CCNc1ccccc1ClInChI=1S/C9H10ClNO2/c10-7-3-1-2-4-8(7)11-6-5-9(12)13/h1-4,11H,5-6H2,(H,12,13)19611970428473397192
2,4-dichloro-5-isopropoxyphenylamine220.1C9H11O1N1Cl2RWRWIICNMOKBIQRWRWIICNMOKBIQ-UHFFFAOYSA-NCC(C)Oc1cc(N)c(Cl)cc1ClInChI=1S/C9H11Cl2NO/c1-5(2)13-9-4-8(12)6(10)3-7(9)11/h3-5H,12H2,1-2H3113846527708884195
2-(1H-indol-1-yl)-N'-[(E)-2-thienylmethylidene]acetohydrazide283.36C15H13O1N3S1URZWCWVXDJFWREURZWCWVXDJFWRE-MHWRWJLKSA-NO=C(Cn1ccc2ccccc21)NN=Cc1cccs1InChI=1S/C15H13N3OS/c19-15(17-16-10-13-5-3-9-20-13)11-18-8-7-12-4-1-2-6-14(12)18/h1-10H,11H2,(H,17,19)/b16-10+465269701195879195192
1-Amino-2-chloro-4-hydroxy-anthraquinone273.68C14H8O3N1Cl1MFAVJLWGAQYYNXMFAVJLWGAQYYNX-UHFFFAOYSA-NNc1c(Cl)cc(O)c2c1C(=O)c1ccccc1C2=OInChI=1S/C14H8ClNO3/c15-8-5-9(17)10-11(12(8)16)14(19)7-4-2-1-3-6(7)13(10)18/h1-5,17H,16H233260711228249915190
4,5-Dichloro-N1-isobutylphenylene-1,2-diamine, HCl233.14C10H15N2Cl3JNJUQHTUXPJCJMJNJUQHTUXPJCJM-UHFFFAOYSA-NCC(C)CNc1cc(Cl)c(Cl)cc1NInChI=1S/C10H14Cl2N2/c1-6(2)5-14-10-4-8(12)7(11)3-9(10)13/h3-4,6,14H,5,13H2,1-2H3245490491154599768195
(4-chlorophenyl)(thiophen-2-yl)methanamine223.73C11H10N1Cl1S1HFNYTYLFYVCWGOHFNYTYLFYVCWGO-UHFFFAOYSA-NNC(c1ccc(Cl)cc1)c1cccs1InChI=1S/C11H10ClNS/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10/h1-7,11H,13H241317353230745647195
1,3-Dioxo-1H,3H-benzo[de]isochromene-6-sulfonic acid278.24C12H6O6S1HOMQUHGCYPKWEYHOMQUHGCYPKWEY-UHFFFAOYSA-NO=C1OC(=O)c2ccc(S(=O)(=O)O)c3cccc1c23InChI=1S/C12H6O6S/c13-11-7-3-1-2-6-9(19(15,16)17)5-4-8(10(6)7)12(14)18-11/h1-5H,(H,15,16,17)25869651829809726190
1,4-diazepan-5-one114.15C5H10O1N2QPPLBCQXWDBQFSQPPLBCQXWDBQFS-UHFFFAOYSA-NO=C1CCNCCN1InChI=1S/C5H10N2O/c8-5-1-2-6-3-4-7-5/h6H,1-4H2,(H,7,8)41050297928453863190
diethyl 1,4-cyclohexanedicarboxylate228.29C12H20O4KRJHRNUTLDTSKYKRJHRNUTLDTSKY-MGCOHNPYSA-N[H]C1(C(=O)OCC)CCC([H])(C(=O)OCC)CC1InChI=1S/C12H20O4/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2/h9-10H,3-8H2,1-2H3/t9-,10-310395814243755267190
{[(2R)-6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}acetic acid357.23C17H18O4Cl2RNOJGTHBMJBOSPRNOJGTHBMJBOSP-QGZVFWFLSA-NCC1(C2CCCC2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=OInChI=1S/C17H18Cl2O4/c1-17(10-4-2-3-5-10)7-9-6-11(23-8-12(20)21)14(18)15(19)13(9)16(17)22/h6,10H,2-5,7-8H2,1H3,(H,20,21)/t17-/m1/s1642800272101370672198
N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]acetamide265.36C11H11O1N3S2CXGNGMANBKYIEFCXGNGMANBKYIEF-UHFFFAOYSA-NCC(=O)Nc1nnc(SCc2ccccc2)s1InChI=1S/C11H11N3OS2/c1-8(15)12-10-13-14-11(17-10)16-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,13,15)34339178627736668190
3,9-Bis[2-(3,5-diamino-2,4,6-triazaphenyl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecane434.46C17H26O4N10DUZLHGMYNVZMCODUZLHGMYNVZMCO-UHFFFAOYSA-NNc1nc(N)nc(CCC2OCC3(CO2)COC(CCc2nc(N)nc(N)n2)OC3)n1InChI=1S/C17H26N10O4/c18-13-22-9(23-14(19)26-13)1-3-11-28-5-17(6-29-11)7-30-12(31-8-17)4-2-10-24-15(20)27-16(21)25-10/h11-12H,1-8H2,(H4,18,19,22,23,26)(H4,20,21,24,25,27)63845211728828996195
4-(5-bromo-2-thienyl)-2-methyl-1,3-thiazole260.18C8H6N1Br1S2XQUWJKXVZUKQGWXQUWJKXVZUKQGW-UHFFFAOYSA-NCc1nc(-c2ccc(Br)s2)cs1InChI=1S/C8H6BrNS2/c1-5-10-6(4-11-5)7-2-3-8(9)12-7/h2-4H,1H334355382326889123190
1-[2-(4-chlorophenoxy)ethyl]hydrazine hydrochloride186.64C8H12O1N2Cl2VFIIPEQXYJLYCVVFIIPEQXYJLYCV-UHFFFAOYSA-NNNCCOc1ccc(Cl)cc1InChI=1S/C8H11ClN2O/c9-7-1-3-8(4-2-7)12-6-5-11-10/h1-4,11H,5-6,10H2106945547252891511190
2-hydroxy-1H-carbazole-1-carboxylic acid227.22C13H9O3N1HQOBDLCAOWRBOUHQOBDLCAOWRBOU-UHFFFAOYSA-NO=C(O)c1c(O)ccc2c1[nH]c1ccccc12InChI=1S/C13H9NO3/c15-10-6-5-8-7-3-1-2-4-9(7)14-12(8)11(10)13(16)17/h1-6,14-15H,(H,16,17)46533991267781033192
4-(acryloylamino)benzoic acid191.19C10H9O3N1MNIDYHCRWJBKLXMNIDYHCRWJBKLX-UHFFFAOYSA-NC=CC(=O)Nc1ccc(C(=O)O)cc1InChI=1S/C10H9NO3/c1-2-9(12)11-8-5-3-7(4-6-8)10(13)14/h2-6H,1H2,(H,11,12)(H,13,14)58034149770574457190
3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)propanoic acid254.24C12H14O6YOPOMHJFXLUCLFYOPOMHJFXLUCLF-UHFFFAOYSA-NCOc1cc(CCC(=O)O)c(OC)c2c1OCO2InChI=1S/C12H14O6/c1-15-8-5-7(3-4-9(13)14)10(16-2)12-11(8)17-6-18-12/h5H,3-4,6H2,1-2H3,(H,13,14)249324457154405709192
1-([1,1'-biphenyl]-4-yloxy)-3-(4-methyl-1-piperidinyl)-2-propanol325.45C21H27O2N1IDFLLYMCUVPBPRIDFLLYMCUVPBPR-UHFFFAOYSA-NCC1CCN(CC(O)COc2ccc(-c3ccccc3)cc2)CC1InChI=1S/C21H27NO2/c1-17-11-13-22(14-12-17)15-20(23)16-24-21-9-7-19(8-10-21)18-5-3-2-4-6-18/h2-10,17,20,23H,11-16H2,1H334345948430886195190
2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)-1-imidazolidinyl]-N-(5-methyl-3-isoxazolyl)acetamide356.38C18H20O4N4JXJRLOOBGUVBFNJXJRLOOBGUVBFN-UHFFFAOYSA-NCc1cc(NC(=O)CN2C(=O)NC(C)(CCc3ccccc3)C2=O)no1InChI=1S/C18H20N4O4/c1-12-10-14(21-26-12)19-15(23)11-22-16(24)18(2,20-17(22)25)9-8-13-6-4-3-5-7-13/h3-7,10H,8-9,11H2,1-2H3,(H,20,25)(H,19,21,23)34314442531909933190
3-(2-Amino-ethyl)-thiazolidine-2,4-dione160.2C5H8O2N2S1PSJIYWXYXJTRRYPSJIYWXYXJTRRY-UHFFFAOYSA-NNCCN1C(=O)CSC1=OInChI=1S/C5H8N2O2S/c6-1-2-7-4(8)3-10-5(7)9/h1-3,6H218402951528665562190
O-(cyclopropylmethyl)hydroxylamine87.12C4H9O1N1YHNRUSMOYCDMJSYHNRUSMOYCDMJS-UHFFFAOYSA-NNOCC1CC1InChI=1S/C4H9NO/c5-6-3-4-1-2-4/h4H,1-3,5H245751019348699243195
1-benzyl-3-bromo-7-azaindole287.16C14H11N2Br1XGECCZZIAJKFBIXGECCZZIAJKFBI-UHFFFAOYSA-NBrc1cn(Cc2ccccc2)c2ncccc12InChI=1S/C14H11BrN2/c15-13-10-17(9-11-5-2-1-3-6-11)14-12(13)7-4-8-16-14/h1-8,10H,9H21062581563243591541190
2-Hydroxy-3-methylnaphthalene158.2C11H10O1MYRXDLASSYFCACMYRXDLASSYFCAC-UHFFFAOYSA-NCc1cc2ccccc2cc1OInChI=1S/C11H10O/c1-8-6-9-4-2-3-5-10(9)7-11(8)12/h2-7,12H,1H324549229370577435195
Flibanserin390.41C20H21O1N4F3CCIZQGRSEAHATKCCIZQGRSEAHATK-UHFFFAOYSA-NOc1nc2ccccc2n1CCN1CCN(c2ccc(C(F)(F)F)cc2)CC1InChI=1S/C20H21F3N4O/c21-20(22,23)15-5-7-16(8-6-15)26-12-9-25(10-13-26)11-14-27-18-4-2-1-3-17(18)24-19(27)28/h1-8H,9-14H2,(H,24,28)45750685670637855198
ethyl 2-{[amino(imino)methyl]amino}-4-methyl-1,3-thiazole-5-carboxylate hydrochloride228.28C8H13O2N4Cl1S1HYYMOZMJVDQRAOHYYMOZMJVDQRAO-UHFFFAOYSA-NCCOC(=O)c1sc(NC(=N)N)nc1CInChI=1S/C8H12N4O2S/c1-3-14-6(13)5-4(2)11-8(15-5)12-7(9)10/h3H2,1-2H3,(H4,9,10,11,12)343105695320856975190
ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate195.22C10H13O3N1GDISALBEIGGPERGDISALBEIGGPER-UHFFFAOYSA-NCCOC(=O)c1c(C)[nH]c(C=O)c1CInChI=1S/C10H13NO3/c1-4-14-10(13)9-6(2)8(5-12)11-7(9)3/h5,11H,4H2,1-3H341050123128524484190
3-methylpiperidine-1-carboximidamide141.22C7H15N3MUIXBWMLQDSNIWMUIXBWMLQDSNIW-UHFFFAOYSA-NCC1CCCN(C(=N)N)C1InChI=1S/C7H15N3/c1-6-3-2-4-10(5-6)7(8)9/h6H,2-5H2,1H3,(H3,8,9)37020348168330800192
DODECYL PROPANOATE242.4C15H30O2FVGJPCFYGPKBKJFVGJPCFYGPKBKJ-UHFFFAOYSA-NCCCCCCCCCCCCOC(=O)CCInChI=1S/C15H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2/h3-14H2,1-2H3106154655230438450195
N-{2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}acetamide278.35C14H15O1N2S1F1QQBMBSITINRGATQQBMBSITINRGAT-UHFFFAOYSA-NCC(=O)NCCc1sc(-c2ccc(F)cc2)nc1CInChI=1S/C14H15FN2OS/c1-9-13(7-8-16-10(2)18)19-14(17-9)11-3-5-12(15)6-4-11/h3-6H,7-8H2,1-2H3,(H,16,18)41420636968071981190
L-364,718 | MK 329 |408.46C25H20O2N4NFHRQQKPEBFUJKNFHRQQKPEBFUJK-HSZRJFAPSA-N[H]C1(NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc2N(C)C1=OInChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s19026585629030729198
6-bromo-3-chloro-1-benzothiophene-2-carbonyl chloride310C9H3O1Cl2Br1S1LNZXWYBELLMGFQLNZXWYBELLMGFQ-UHFFFAOYSA-NO=C(Cl)c1sc2cc(Br)ccc2c1ClInChI=1S/C9H3BrCl2OS/c10-4-1-2-5-6(3-4)14-8(7(5)11)9(12)13/h1-3H18773149729574929192
3-Bromo-4-ethyl-5-fluoropyridine204.04C7H7N1Br1F1PJVGIIITJQCCRCPJVGIIITJQCCRC-UHFFFAOYSA-NCCc1c(F)cncc1BrInChI=1S/C7H7BrFN/c1-2-5-6(8)3-10-4-7(5)9/h3-4H,2H2,1H3640097003388401717195
Methyl 4-Bromo-2,6-dinitrobenzoate305.04C8H5O6N2Br1XFHBMIBQDDEXIXXFHBMIBQDDEXIX-UHFFFAOYSA-NCOC(=O)c1c([N+](=O)[O-])cc(Br)cc1[N+](=O)[O-]InChI=1S/C8H5BrN2O6/c1-17-8(12)7-5(10(13)14)2-4(9)3-6(7)11(15)16/h2-3H,1H3321609452321609324190
methyl 6-aminohexanoate hydrochloride145.2C7H16O2N1Cl1TZJVWRXHKAXSEATZJVWRXHKAXSEA-UHFFFAOYSA-NCOC(=O)CCCCCNInChI=1S/C7H15NO2/c1-10-7(9)5-3-2-4-6-8/h2-6,8H2,1H334363222628526538190
(6R,7R)-4-Nitrobenzyl 7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride369.79C14H13O5N3Cl2S1YLIOIMWNSIRKDGYLIOIMWNSIRKDG-ZWNOBZJWSA-N[H]C1(N)C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(Cl)CSC21[H]InChI=1S/C14H12ClN3O5S/c15-9-6-24-13-10(16)12(19)17(13)11(9)14(20)23-5-7-1-3-8(4-2-7)18(21)22/h1-4,10,13H,5-6,16H2/t10-,13-/m1/s11521983951130934158195
3-HYDROXY-2-PHENYLPROPYL CARBAMATE195.22C10H13O3N1JQVQIZWJBLGVRWJQVQIZWJBLGVRW-UHFFFAOYSA-NNC(=O)OCC(CO)c1ccccc1InChI=1S/C10H13NO3/c11-10(13)14-7-9(6-12)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H2,11,13)93988355529511654195
1-(4-chlorophenyl)-3,3-di(methylthio)prop-2-en-1-one258.79C11H11O1Cl1S2GPYHXBMRTUGLQAGPYHXBMRTUGLQA-UHFFFAOYSA-NCSC(=CC(=O)c1ccc(Cl)cc1)SCInChI=1S/C11H11ClOS2/c1-14-11(15-2)7-10(13)8-3-5-9(12)6-4-8/h3-7H,1-2H319609147128445043192
4-BROMO-3-(3-CHLOROPHENYL)-1H-PYRAZOLE257.52C9H6N2Cl1Br1VTGWOARMLBWLLGVTGWOARMLBWLLG-UHFFFAOYSA-NClc1cccc(-c2[nH]ncc2Br)c1InChI=1S/C9H6BrClN2/c10-8-5-12-13-9(8)6-2-1-3-7(11)4-6/h1-5H,(H,12,13)428005517244175387195
4'-Methyl-4-pentylbiphenyl238.37C18H22ZGBOHJUSTPZQPLZGBOHJUSTPZQPL-UHFFFAOYSA-NCCCCCc1ccc(-c2ccc(C)cc2)cc1InChI=1S/C18H22/c1-3-4-5-6-16-9-13-18(14-10-16)17-11-7-15(2)8-12-17/h7-14H,3-6H2,1-2H3106939411170598923195
1,3,2-Dioxathian-2-one122.14C3H6O3S1LOURZMYQPMDBSRLOURZMYQPMDBSR-UHFFFAOYSA-NO=S1OCCCO1InChI=1S/C3H6O3S/c4-7-5-2-1-3-6-7/h1-3H234102860630183223195
5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one209.25C14H11O1N1PDPKDRIXAIQZAVPDPKDRIXAIQZAV-UHFFFAOYSA-NO=C1c2ccccc2CCc2cccnc21InChI=1S/C14H11NO/c16-14-12-6-2-1-4-10(12)7-8-11-5-3-9-15-13(11)14/h1-6,9H,7-8H2106947824228939171190
TMI 1398.51C17H22O5N2S2CVZIHNYAZLXRRSCVZIHNYAZLXRRS-HNNXBMFYSA-N[H]C1(C(=O)NO)N(S(=O)(=O)c2ccc(OCC#CC)cc2)CCSC1(C)CInChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)/t15-/m0/s151462378379990163198
2-CHLORO-6-TRIFLUOROMETHYL-ISONICOTINONITRILE206.55C7H2N2Cl1F3DKJFUZIDAHUIJVDKJFUZIDAHUIJV-UHFFFAOYSA-NN#Cc1cc(Cl)nc(C(F)(F)F)c1InChI=1S/C7H2ClF3N2/c8-6-2-4(3-12)1-5(13-6)7(9,10)11/h1-2H456786936249438251195
thiophene-2-carboximidamide hydrochloride126.18C5H7N2Cl1S1QSELGEUCFNFITDQSELGEUCFNFITD-UHFFFAOYSA-NN=C(N)c1cccs1InChI=1S/C5H6N2S/c6-5(7)4-2-1-3-8-4/h1-3H,(H3,6,7)41050327928707401190
3-BROMO-4-IODOANILINE297.92C6H5N1Br1I1HBCBLDVYTZWYLLHBCBLDVYTZWYLL-UHFFFAOYSA-NNc1ccc(I)c(Br)c1InChI=1S/C6H5BrIN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2959439564116553121195
3-methyl-2-pyridinecarboxylic acid137.14C7H7O2N1LMHIBYREWJHKNZLMHIBYREWJHKNZ-UHFFFAOYSA-NCc1cccnc1C(=O)OInChI=1S/C7H7NO2/c1-5-3-2-4-8-6(5)7(9)10/h2-4H,1H3,(H,9,10)51303872328828590190
4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridine177.22C11H12N1F1ILCNYFXNNQYRJPILCNYFXNNQYRJP-UHFFFAOYSA-NFc1cccc(C2=CCNCC2)c1InChI=1S/C11H12FN/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-4,8,13H,5-7H241317303865307114195
4-Chloro-3-oxobutanoic acid136.53C4H5O3Cl1UCTNTYHJFWMUBDUCTNTYHJFWMUBD-UHFFFAOYSA-NO=C(O)CC(=O)CClInChI=1S/C4H5ClO3/c5-2-3(6)1-4(7)8/h1-2H2,(H,7,8)45677671228765294197
1-(2,6-difluorophenyl)ethanamine157.16C8H9N1F2PDPHGCQJDUZZGMPDPHGCQJDUZZGM-UHFFFAOYSA-NCC(N)c1c(F)cccc1FInChI=1S/C8H9F2N/c1-5(11)8-6(9)3-2-4-7(8)10/h2-5H,11H2,1H3105914853962645823190
5-CHLORO-1,2,3,4-TETRAHYDRO-1,6-NAPHTHYRIDINE168.63C8H9N2Cl1JVMIUCCIXSCUTRJVMIUCCIXSCUTR-UHFFFAOYSA-NClc1nccc2c1CCCN2InChI=1S/C8H9ClN2/c9-8-6-2-1-4-10-7(6)3-5-11-8/h3,5,10H,1-2,4H2371592024187835455195
Mozavaptan427.55C27H29O2N3WRNXUQJJCIZICJWRNXUQJJCIZICJ-UHFFFAOYSA-NCc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1InChI=1S/C27H29N3O2/c1-19-9-4-5-10-22(19)26(31)28-21-16-14-20(15-17-21)27(32)30-18-8-13-24(29(2)3)23-11-6-7-12-25(23)30/h4-7,9-12,14-17,24H,8,13,18H2,1-3H3,(H,28,31)54585575429515264197
ETHYL 3,3-DIFLUOROBUTYRATE152.14C6H10O2F2JSMRUPPAFDYIRDJSMRUPPAFDYIRD-UHFFFAOYSA-NCCOC(=O)CC(C)(F)FInChI=1S/C6H10F2O2/c1-3-10-5(9)4-6(2,7)8/h3-4H2,1-2H3638638597245075608195
6-hydroxyhexyl acrylate172.22C9H16O3OCIFJWVZZUDMRLOCIFJWVZZUDMRL-UHFFFAOYSA-NC=CC(=O)OCCCCCCOInChI=1S/C9H16O3/c1-2-9(11)12-8-6-4-3-5-7-10/h2,10H,1,3-8H2106958515570571391190
4-BROMO-3-NITROPYRIDINE202.99C5H3O2N2Br1KVZNAGBWCCVHKGKVZNAGBWCCVHKG-UHFFFAOYSA-NO=[N+]([O-])c1cnccc1BrInChI=1S/C5H3BrN2O2/c6-4-1-2-7-3-5(4)8(9)10/h1-3H45896526034690533195
3-Chloro-2-fluoro-5-(trifluoromethyl)benzyl bromide291.47C8H4Cl1Br1F4SPNVJHWULHTZHGSPNVJHWULHTZHG-UHFFFAOYSA-NFc1c(Cl)cc(C(F)(F)F)cc1CBrInChI=1S/C8H4BrClF4/c9-3-4-1-5(8(12,13)14)2-6(10)7(4)11/h1-2H,3H210071017928849299197
5'-DEOXYURIDINE C[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O1)N2C(NC(C=C2)=O)=O 95% 0.25G 284 1G 710 5G 2130 http://www.astatechinc.com/CPSResult.php?CRNO=113397 Very high No Gram quantities No Maintained in stock US 1 week Available228.2C9H12O5N2WUBAOANSQGKRHFWUBAOANSQGKRHF-XVFCMESISA-N[H]C1(C)OC([H])(n2ccc(=O)[nH]c2=O)C([H])(O)C1([H])OInChI=1S/C9H12N2O5/c1-4-6(13)7(14)8(16-4)11-3-2-5(12)10-9(11)15/h2-4,6-8,13-14H,1H3,(H,10,12,15)/t4-,6-,7-,8-/m1/s1106154935728806419195
4-Amino-2,3-difluoro-5-nitrobenzoic acid218.11C7H4O4N2F2WXXHOWQPFHXRDYWXXHOWQPFHXRDY-UHFFFAOYSA-NNc1c([N+](=O)[O-])cc(C(=O)O)c(F)c1FInChI=1S/C7H4F2N2O4/c8-4-2(7(12)13)1-3(11(14)15)6(10)5(4)9/h1H,10H2,(H,12,13)1762298046119203841197
3-ethyl-6-methyl-2-pyridinylamine136.2C8H12N2OQNDNGDJFBXUIDOQNDNGDJFBXUID-UHFFFAOYSA-NCCc1ccc(C)nc1NInChI=1S/C8H12N2/c1-3-7-5-4-6(2)10-8(7)9/h4-5H,3H2,1-2H3,(H2,9,10)51303876627725564190
4,5-dichloropyridazine148.98C4H2N2Cl2IOSUEOLOSZOHDEIOSUEOLOSZOHDE-UHFFFAOYSA-NClc1cnncc1ClInChI=1S/C4H2Cl2N2/c5-3-1-7-8-2-4(3)6/h1-2H457508648187182971195
TERT-BUTYL 2,4-DIBROMOBUTANOATE302.01C8H14O2Br2IELBUWARMJVXDUIELBUWARMJVXDU-UHFFFAOYSA-NCC(C)(C)OC(=O)C(Br)CCBrInChI=1S/C8H14Br2O2/c1-8(2,3)12-7(11)6(10)4-5-9/h6H,4-5H2,1-3H339881364028813307195
2,4-dimethyl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine204.27C13H16O2SHWFPOIJJLMZKASHWFPOIJJLMZKA-UHFFFAOYSA-NCC1OC(C)C2Cc3ccccc3C2O1InChI=1S/C13H16O2/c1-8-12-7-10-5-3-4-6-11(10)13(12)15-9(2)14-8/h3-6,8-9,12-13H,7H2,1-2H340817341927196811192
2-(5-fluoro-2-methoxyphenyl)ethan-1-amine hydrochloride169.2C9H13O1N1Cl1F1LGRPLCAEJHVACVLGRPLCAEJHVACV-UHFFFAOYSA-NCOc1ccc(F)cc1CCNInChI=1S/C9H12FNO/c1-12-9-3-2-8(10)6-7(9)4-5-11/h2-3,6H,4-5,11H2,1H3946840407243867275195
1-((3s,5s,7s)-adamantan-1-yl)urea194.28C11H18O1N2QYYHPAUOLCHORHQYYHPAUOLCHORH-UHFFFAOYSA-NNC(=O)NC12CC3CC(CC(C3)C1)C2InChI=1S/C11H18N2O/c12-10(14)13-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H3,12,13,14)51001191627334439190
2-(4-chlorophenyl)-4-(propane-1-sulfonyl)-1H-indol-6-amine348.86C17H17O2N2Cl1S1DJEZTHNATUTWJIDJEZTHNATUTWJI-UHFFFAOYSA-NCCCS(=O)(=O)c1cc(N)cc2[nH]c(-c3ccc(Cl)cc3)cc12InChI=1S/C17H17ClN2O2S/c1-2-7-23(21,22)17-9-13(19)8-16-14(17)10-15(20-16)11-3-5-12(18)6-4-11/h3-6,8-10,20H,2,7,19H2,1H3413172384413172353195
7-Chloro-3-iodo (1H)indazole278.48C7H4N2Cl1I1FTMZPQUNZZQFMXFTMZPQUNZZQFMX-UHFFFAOYSA-NClc1cccc2c(I)n[nH]c12InChI=1S/C7H4ClIN2/c8-5-3-1-2-4-6(5)10-11-7(4)9/h1-3H,(H,10,11)181078842181078154195
4-(3-Hydroxyphenyl)phenol186.21C12H10O2BWBGEYQWIHXDKYBWBGEYQWIHXDKY-UHFFFAOYSA-NOc1ccc(-c2cccc(O)c2)cc1InChI=1S/C12H10O2/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10/h1-8,13-14H32915938970578723195
5-bromo-2-(3-methylbutoxy)benzaldehyde271.15C12H15O2Br1NKBXANRVXQBCDLNKBXANRVXQBCDL-UHFFFAOYSA-NCC(C)CCOc1ccc(Br)cc1C=OInChI=1S/C12H15BrO2/c1-9(2)5-6-15-12-4-3-11(13)7-10(12)8-14/h3-4,7-9H,5-6H2,1-2H318774814034986786192
2-(2-thienyl)-1H-indole199.28C12H9N1S1YKSQPGLJCBOZNGYKSQPGLJCBOZNG-UHFFFAOYSA-Nc1csc(-c2cc3ccccc3[nH]2)c1InChI=1S/C12H9NS/c1-2-5-10-9(4-1)8-11(13-10)12-6-3-7-14-12/h1-8,13H107754238227720154190
(4-amino-5-chloro-2-methoxyphenyl)(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)methanone dihydrochloride403.87C20H24O4N3Cl3XBYVCKARLGAKEXXBYVCKARLGAKEX-UHFFFAOYSA-NCOc1cc(N)c(Cl)cc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1InChI=1S/C20H22ClN3O4/c1-26-18-10-16(22)15(21)9-14(18)20(25)24-6-4-23(5-7-24)11-13-2-3-17-19(8-13)28-12-27-17/h2-3,8-10H,4-7,11-12,22H2,1H3465711027410446183190
4-(chloromethyl)-2-(4-ethoxyphenyl)-1,3-thiazole hydrochloride253.75C12H13O1N1Cl2S1LIKSWVDPKZCASWLIKSWVDPKZCASW-UHFFFAOYSA-NCCOc1ccc(-c2nc(CCl)cs2)cc1InChI=1S/C12H12ClNOS/c1-2-15-11-5-3-9(4-6-11)12-14-10(7-13)8-16-12/h3-6,8H,2,7H2,1H341048501152889424190
2-sulfanylacetohydrazide106.15C2H6O1N2S1VLERMNIUDRUNQOVLERMNIUDRUNQO-UHFFFAOYSA-NNNC(=O)CSInChI=1S/C2H6N2OS/c3-4-2(5)1-6/h6H,1,3H2,(H,4,5)38870052770118779195
2-(4-chlorophenyl)-3-phenyl-1,3-thiazolidin-4-one289.79C15H12O1N1Cl1S1JUDDFITVCXHJQXJUDDFITVCXHJQX-UHFFFAOYSA-NO=C1CSC(c2ccc(Cl)cc2)N1c1ccccc1InChI=1S/C15H12ClNOS/c16-12-8-6-11(7-9-12)15-17(14(18)10-19-15)13-4-2-1-3-5-13/h1-9,15H,10H229512895327118388192
2-bromo-5-iodophenylamine297.92C6H5N1Br1I1LNVKBOZTHZJQLMLNVKBOZTHZJQLM-UHFFFAOYSA-NNc1cc(I)ccc1BrInChI=1S/C6H5BrIN/c7-5-2-1-4(8)3-6(5)9/h1-3H,9H2465629308293013014190
(4-chlorophenyl)(4-fluorophenyl)methanol236.67C13H10O1Cl1F1JCIWCQYNVZQYRVJCIWCQYNVZQYRV-UHFFFAOYSA-NOC(c1ccc(F)cc1)c1ccc(Cl)cc1InChI=1S/C13H10ClFO/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13,16H1743280469119765964190
2-Bromo-4-(trifluoromethyl)-6-iodobenzenamine365.92C7H4N1Br1F3I1FBHITPHKKSCFNUFBHITPHKKSCFNU-UHFFFAOYSA-NNc1c(Br)cc(C(F)(F)F)cc1IInChI=1S/C7H4BrF3IN/c8-4-1-3(7(9,10)11)2-5(12)6(4)13/h1-2H,13H2491601826117832926195
2-(2-(2-Aminoethoxy)ethoxy)acetic acid hydrochloride163.17C6H14O4N1Cl1RUVRGYVESPRHSZRUVRGYVESPRHSZ-UHFFFAOYSA-NNCCOCCOCC(=O)OInChI=1S/C6H13NO4/c7-1-2-10-3-4-11-5-6(8)9/h1-5,7H2,(H,8,9)491604260244191300195
2-(2-bromophenoxy)-1-phenylethanone291.14C14H11O2Br1VMCDJFHHWCZFIKVMCDJFHHWCZFIK-UHFFFAOYSA-NO=C(COc1ccccc1Br)c1ccccc1InChI=1S/C14H11BrO2/c15-12-8-4-5-9-14(12)17-10-13(16)11-6-2-1-3-7-11/h1-9H,10H234580509570792490190
2-BROMO-6-VINYLPYRIDINE184.04C7H6N1Br1DACJHPBNJLHAGZDACJHPBNJLHAGZ-UHFFFAOYSA-NC=Cc1cccc(Br)n1InChI=1S/C7H6BrN/c1-2-6-4-3-5-7(8)9-6/h2-5H,1H2413075845326528410195
2-CHLORO-6,7-DIHYDRO-4H-PYRANO[4,3-D]THIAZOLE175.64C6H6O1N1Cl1S1BTSMTJZXDAFYOIBTSMTJZXDAFYOI-UHFFFAOYSA-NClc1nc2c(s1)COCC2InChI=1S/C6H6ClNOS/c7-6-8-4-1-2-9-3-5(4)10-6/h1-3H2428008000249438203195
N-(4-fluorophenyl)-4-methoxybenzenesulfonamide281.31C13H12O3N1S1F1XZUZKXYWAFPZHWXZUZKXYWAFPZHW-UHFFFAOYSA-NCOc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1InChI=1S/C13H12FNO3S/c1-18-12-6-8-13(9-7-12)19(16,17)15-11-4-2-10(14)3-5-11/h2-9,15H,1H31280980227563616192
1-((DIIODOMETHYL)SULFONYL)-4-METHYLBENZENE422.03C8H8O2S1I2XOILGBPDXMVFIPXOILGBPDXMVFIP-UHFFFAOYSA-NCc1ccc(S(=O)(=O)C(I)I)cc1InChI=1S/C8H8I2O2S/c1-6-2-4-7(5-3-6)13(11,12)8(9)10/h2-5,8H,1H342388834428780846195
4-isopropylmorpholine129.2C7H15O1N1XLZMWNWNBXSZKFXLZMWNWNBXSZKF-UHFFFAOYSA-NCC(C)N1CCOCC1InChI=1S/C7H15NO/c1-7(2)8-3-5-9-6-4-8/h7H,3-6H2,1-2H36196745330376009190
4-methylcyclohex-3-en-1-one110.16C7H10O1POKCGQXKNIJLCRPOKCGQXKNIJLCR-UHFFFAOYSA-NCC1=CCC(=O)CC1InChI=1S/C7H10O/c1-6-2-4-7(8)5-3-6/h2H,3-5H2,1H344472332728937208195
Benzyl ((3aS,4R,6S,6aR)-6-hydroxy-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)carbamate307.35C16H21O5N1VPICQZQITAJOQAVPICQZQITAJOQA-ZOBORPQBSA-N[H]C1(O)CC([H])(NC(=O)OCc2ccccc2)C2([H])OC(C)(C)OC12[H]InChI=1S/C16H21NO5/c1-16(2)21-13-11(8-12(18)14(13)22-16)17-15(19)20-9-10-6-4-3-5-7-10/h3-7,11-14,18H,8-9H2,1-2H3,(H,17,19)/t11-,12+,13+,14-/m1/s11762278046361616567197
6-bromo-1,2,3,4-tetrahydroisoquinoline212.09C9H10N1Br1URDGCPQHZSDBRGURDGCPQHZSDBRG-UHFFFAOYSA-NBrc1ccc2c(c1)CCNC2InChI=1S/C9H10BrN/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-2,5,11H,3-4,6H2465554755243297966190
3-(Boc-aminomethyl)azetidine Hydrochloride186.25C9H19O2N2Cl1MOLUHRBHXXGWDPMOLUHRBHXXGWDP-UHFFFAOYSA-NCC(C)(C)OC(=O)NCC1CNC1InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-6-7-4-10-5-7/h7,10H,4-6H2,1-3H3,(H,11,12)414275595159321596195
methyl 2-{[(4-chlorophenyl)methyl]amino}acetate213.66C10H12O2N1Cl1OTCQSXAXCGEMTFOTCQSXAXCGEMTF-UHFFFAOYSA-NCOC(=O)CNCc1ccc(Cl)cc1InChI=1S/C10H12ClNO2/c1-14-10(13)7-12-6-8-2-4-9(11)5-3-8/h2-5,12H,6-7H2,1H3413173575156075726195
2-[(2,3-dihydro-1H-inden-2-yl)amino]acetamide190.25C11H14O1N2MNLULKBKWKTZPEMNLULKBKWKTZPE-UHFFFAOYSA-NNC(=O)CNC1Cc2ccccc2C1InChI=1S/C11H14N2O/c12-11(14)7-13-10-5-8-3-1-2-4-9(8)6-10/h1-4,10,13H,5-7H2,(H2,12,14)1062603811136413408195
2-piperidinecarbonitrile110.16C6H10N2YAVXLTMRALFZISYAVXLTMRALFZIS-UHFFFAOYSA-NN#CC1CCCCN1InChI=1S/C6H10N2/c7-5-6-3-1-2-4-8-6/h6,8H,1-4H242807642328984561190
4-nitrophenyl (2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoate386.4C20H22O6N2QZIWWFMMLBBICGQZIWWFMMLBBICG-KRWDZBQOSA-N[H]C(Cc1ccccc1)(NC(=O)OC(C)(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1InChI=1S/C20H22N2O6/c1-20(2,3)28-19(24)21-17(13-14-7-5-4-6-8-14)18(23)27-16-11-9-15(10-12-16)22(25)26/h4-12,17H,13H2,1-3H3,(H,21,24)/t17-/m0/s11227326628809576190
N-Methyl 4-fluoro-2-(trifluoromethyl)aniline, HCl193.14C8H8N1Cl1F4XODKOADABUOLAEXODKOADABUOLAE-UHFFFAOYSA-NCNc1ccc(F)cc1C(F)(F)FInChI=1S/C8H7F4N/c1-13-7-3-2-5(9)4-6(7)8(10,11)12/h2-4,13H,1H3245490639245490619195
3-phenyl-5-sulfanyl-1,3,4-thiadiazole-2(3H)-thione226.35C8H6N2S3JRFUIXXCQSIOEBJRFUIXXCQSIOEB-UHFFFAOYSA-NS=c1[nH]n(-c2ccccc2)c(=S)s1InChI=1S/C8H6N2S3/c11-7-9-10(8(12)13-7)6-4-2-1-3-5-6/h1-5H,(H,9,11)10061535428760433190
2-[3-(morpholin-4-ylsulfonyl)phenyl]imidazo[1,2-a]pyrimidine344.4C16H16O3N4S1DTAMVGTXRFXASNDTAMVGTXRFXASN-UHFFFAOYSA-NO=S(=O)(c1cccc(-c2cn3cccnc3n2)c1)N1CCOCC1InChI=1S/C16H16N4O3S/c21-24(22,20-7-9-23-10-8-20)14-4-1-3-13(11-14)15-12-19-6-2-5-17-16(19)18-15/h1-6,11-12H,7-10H223936845135057775192
4-Chloro-3-iodo-5-azaindole278.48C7H4N2Cl1I1ZLDNJKJGGOYQERZLDNJKJGGOYQER-UHFFFAOYSA-NClc1nccc2[nH]cc(I)c12InChI=1S/C7H4ClIN2/c8-7-6-4(9)3-11-5(6)1-2-10-7/h1-3,11H240628066183932634195
2-cyclohexyl-4-nitrophenol221.26C12H15O3N1JXGVRKOUPGWANZJXGVRKOUPGWANZ-UHFFFAOYSA-NO=[N+]([O-])c1ccc(O)c(C2CCCCC2)c1InChI=1S/C12H15NO3/c14-12-7-6-10(13(15)16)8-11(12)9-4-2-1-3-5-9/h6-9,14H,1-5H246589427130440088190
5-(4-Allyloxy-benzylidene)-2-(4-fluoro-phenylimino)-thiazolidin-4-one354.41C19H15O2N2S1F1IXTXXTYRWJCVDJIXTXXTYRWJCVDJ-ATVHPVEESA-NC=CCOc1ccc(C=C2SC(=Nc3ccc(F)cc3)NC2=O)cc1InChI=1S/C19H15FN2O2S/c1-2-11-24-16-9-3-13(4-10-16)12-17-18(23)22-19(25-17)21-15-7-5-14(20)6-8-15/h2-10,12H,1,11H2,(H,21,22,23)/b17-12-235220544235220392190
1-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-fluoroethanone342.37C18H19O2N4F1IKLGYJACVCXYILIKLGYJACVCXYIL-UHFFFAOYSA-NCc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1InChI=1S/C18H19FN4O2/c1-11-3-5-12(6-4-11)14-15-17(20)21-10-22-18(15)23(7-2-8-24)16(14)13(25)9-19/h3-6,10,24H,2,7-9H2,1H3,(H2,20,21,22)64279720370787121198
ethyl 2-phenyl-5-(propanoyloxy)-1-benzofuran-3-carboxylate338.36C20H18O5MNOMTXPHLCDQCVMNOMTXPHLCDQCV-UHFFFAOYSA-NCCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(=O)CC)cc12InChI=1S/C20H18O5/c1-3-17(21)24-14-10-11-16-15(12-14)18(20(22)23-4-2)19(25-16)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H324935954627185446192
4-(PIPERIDIN-4-YL)BUTAN-1-OL HCL157.26C9H20O1N1Cl1YRKCHKQZWFMCPBYRKCHKQZWFMCPB-UHFFFAOYSA-NOCCCCC1CCNCC1InChI=1S/C9H19NO/c11-8-2-1-3-9-4-6-10-7-5-9/h9-11H,1-8H237159200128864074195
N,N-Bis(2-chloroethyl)-1-propanamine184.11C7H15N1Cl2XPOTXXGDCPYFGRXPOTXXGDCPYFGR-UHFFFAOYSA-NCCCN(CCCl)CCClInChI=1S/C7H15Cl2N/c1-2-5-10(6-3-8)7-4-9/h2-7H2,1H364011102230414237190
2,6-Dichloro-4-trifluoromethylsulfanyl-phenylamine262.08C7H4N1Cl2S1F3JDWPTDLYCZOZOJJDWPTDLYCZOZOJ-UHFFFAOYSA-NNc1c(Cl)cc(SC(F)(F)F)cc1ClInChI=1S/C7H4Cl2F3NS/c8-4-1-3(14-7(10,11)12)2-5(9)6(4)13/h1-2H,13H2402121720127648081195
[4-(1H-pyrazol-1-yl)phenyl]methanol174.2C10H10O1N2MMGMLIHSHFKRDKMMGMLIHSHFKRDK-UHFFFAOYSA-NOCc1ccc(-n2cccn2)cc1InChI=1S/C10H10N2O/c13-8-9-2-4-10(5-3-9)12-7-1-6-11-12/h1-7,13H,8H244792680729297400190
4-[2-N,N-DIISOPROPYLAMINO-ETHOXY]PHENYLBROMIDE300.24C14H22O1N1Br1ZBQQRPFYLMVOQHZBQQRPFYLMVOQH-UHFFFAOYSA-NCC(C)N(CCOc1ccc(Br)cc1)C(C)CInChI=1S/C14H22BrNO/c1-11(2)16(12(3)4)9-10-17-14-7-5-13(15)6-8-14/h5-8,11-12H,9-10H2,1-4H3288342328862388195
5-[(4-chloro-2-fluorophenyl)methyl]-1,3-thiazol-2-amine242.71C10H8N2Cl1S1F1YGCLBUDQKCAJMUYGCLBUDQKCAJMU-UHFFFAOYSA-NNc1ncc(Cc2ccc(Cl)cc2F)s1InChI=1S/C10H8ClFN2S/c11-7-2-1-6(9(12)4-7)3-8-5-14-10(13)15-8/h1-2,4-5H,3H2,(H2,13,14)413173605101873759195
6-CHLORO-5-IODO-1H-INDAZOLE278.48C7H4N2Cl1I1CZAVVAHRUSLADLCZAVVAHRUSLADL-UHFFFAOYSA-NClc1cc2[nH]ncc2cc1IInChI=1S/C7H4ClIN2/c8-5-2-7-4(1-6(5)9)3-10-11-7/h1-3H,(H,10,11)458965224326675178195
3-chloro-5-(trifluoromethyl)-2-pyridinecarboximidamide hydrochloride223.59C7H6N3Cl2F3JMDKICCJPFBZQEJMDKICCJPFBZQE-UHFFFAOYSA-NN=C(N)c1ncc(C(F)(F)F)cc1ClInChI=1S/C7H5ClF3N3/c8-4-1-3(7(9,10)11)2-14-5(4)6(12)13/h1-2H,(H3,12,13)444790267244305069195
{4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl}methanamine dihydrochloride224.3C12H22O2N2Cl2NVNKSCOESHKPSQNVNKSCOESHKPSQ-UHFFFAOYSA-NCOc1cc(CN)ccc1OCCN(C)CInChI=1S/C12H20N2O2/c1-14(2)6-7-16-11-5-4-10(9-13)8-12(11)15-3/h4-5,8H,6-7,9,13H2,1-3H3187622884185104478195
4-Bromo-5-chloro-1H-pyrrolo[2,3-b]pyridine231.48C7H4N2Cl1Br1UHOQDMKXJCJJGEUHOQDMKXJCJJGE-UHFFFAOYSA-NClc1cnc2[nH]ccc2c1BrInChI=1S/C7H4BrClN2/c8-6-4-1-2-10-7(4)11-3-5(6)9/h1-3H,(H,10,11)1762268839240626299197
4-(allyloxy)benzoic acid178.19C10H10O3DYDWKSVZHZNBLODYDWKSVZHZNBLO-UHFFFAOYSA-NC=CCOc1ccc(C(=O)O)cc1InChI=1S/C10H10O3/c1-2-7-13-9-5-3-8(4-6-9)10(11)12/h2-6H,1,7H2,(H,11,12)34383488128528614190
2-(4-butoxyphenoxy)acetic acid224.26C12H16O4CKROMSAARMUYAQCKROMSAARMUYAQ-UHFFFAOYSA-NCCCCOc1ccc(OCC(=O)O)cc1InChI=1S/C12H16O4/c1-2-3-8-15-10-4-6-11(7-5-10)16-9-12(13)14/h4-7H,2-3,8-9H2,1H3,(H,13,14)46547632470792205192
2,6-Dichloro-3-fluoro-5-(trifluoromethyl)pyridine233.98C6H1N1Cl2F4VVXQCTFINCODIFVVXQCTFINCODIF-UHFFFAOYSA-NFc1cc(C(F)(F)F)c(Cl)nc1ClInChI=1S/C6HCl2F4N/c7-4-2(6(10,11)12)1-3(9)5(8)13-4/h1H429252689182086450192
3-[(dimethylamino)methyl]aniline150.22C9H14N2WOJBIBHVUSZAGSWOJBIBHVUSZAGS-UHFFFAOYSA-NCN(C)Cc1cccc(N)c1InChI=1S/C9H14N2/c1-11(2)7-8-4-3-5-9(10)6-8/h3-6H,7,10H2,1-2H3105914859428785669190
4-chloro-2-nitrophenyl 2-chlorophenyl ether284.1C12H7O3N1Cl2AXWRVQCZOCJLFCAXWRVQCZOCJLFC-UHFFFAOYSA-NO=[N+]([O-])c1cc(Cl)ccc1Oc1ccccc1ClInChI=1S/C12H7Cl2NO3/c13-8-5-6-12(10(7-8)15(16)17)18-11-4-2-1-3-9(11)14/h1-7H34345350328247952190
N,N-bis[2-(2-methoxyethoxy)ethyl]amine221.3C10H23O4N1FFCWGAORQXNZCLFFCWGAORQXNZCL-UHFFFAOYSA-NCOCCOCCNCCOCCOCInChI=1S/C10H23NO4/c1-12-7-9-14-5-3-11-4-6-15-10-8-13-2/h11H,3-10H2,1-2H3106947068530516297190
4,6-dimethylquinoline157.22C11H11N1JTLZWQVUPZYROBJTLZWQVUPZYROB-UHFFFAOYSA-NCc1ccc2nccc(C)c2c1InChI=1S/C11H11N/c1-8-3-4-11-10(7-8)9(2)5-6-12-11/h3-7H,1-2H333918840028112945190
4-NITROPHENYL MYRISTATE349.47C20H31O4N1ZBBNFJIVAHGZKAZBBNFJIVAHGZKA-UHFFFAOYSA-NCCCCCCCCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1InChI=1S/C20H31NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(22)25-19-16-14-18(15-17-19)21(23)24/h14-17H,2-13H2,1H351725168128120249195
Fluoxetine Succinamic Acid409.4C21H22O4N1F3SAIPSZMZTANCFESAIPSZMZTANCFE-UHFFFAOYSA-NCN(CCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=O)CCC(=O)OInChI=1S/C21H22F3NO4/c1-25(19(26)11-12-20(27)28)14-13-18(15-5-3-2-4-6-15)29-17-9-7-16(8-10-17)21(22,23)24/h2-10,18H,11-14H2,1H3,(H,27,28)497439814137060702195
(4-BROMO-3-FLUOROPHENYL)(METHYL)SULFANE221.09C7H6Br1S1F1SUZAIHLOLUYRJGSUZAIHLOLUYRJG-UHFFFAOYSA-NCSc1ccc(Br)c(F)c1InChI=1S/C7H6BrFS/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,1H31061546218112687631195
N-Benzyl-2-(4-((3-methylmorpholino)methyl)thiazol-2-yl)acetamide345.47C18H23O2N3S1HBHQQXPXCDSCJRHBHQQXPXCDSCJR-UHFFFAOYSA-NCC1COCCN1Cc1csc(CC(=O)NCc2ccccc2)n1InChI=1S/C18H23N3O2S/c1-14-12-23-8-7-21(14)11-16-13-24-18(20-16)9-17(22)19-10-15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H,19,22)414674880394752076190
(2E)-3-{4-[(4-bromobenzyl)oxy]phenyl}-N-(sec-butyl)-2-propenamide388.31C20H22O2N1Br1HXERARAIXDPHBEHXERARAIXDPHBE-MDWZMJQESA-NCCC(C)NC(=O)C=Cc1ccc(OCc2ccc(Br)cc2)cc1InChI=1S/C20H22BrNO2/c1-3-15(2)22-20(23)13-8-16-6-11-19(12-7-16)24-14-17-4-9-18(21)10-5-17/h4-13,15H,3,14H2,1-2H3,(H,22,23)/b13-8+113431427792516190
3,7-Diiodo-6-methoxy-4-methyl-1H-indazole413.98C9H8O1N2I2IIYRPUXLWFDWKOIIYRPUXLWFDWKO-UHFFFAOYSA-NCOc1cc(C)c2c(I)n[nH]c2c1IInChI=1S/C9H8I2N2O/c1-4-3-5(14-2)7(10)8-6(4)9(11)13-12-8/h3H,1-2H3,(H,12,13)491601793359309718195
2,4,6-triisopropylbenzenesulfonohydrazide298.45C15H26O2N2S1UGRVYFQFDZRNMQUGRVYFQFDZRNMQ-UHFFFAOYSA-NCC(C)c1cc(C(C)C)c(S(=O)(=O)NN)c(C(C)C)c1InChI=1S/C15H26N2O2S/c1-9(2)12-7-13(10(3)4)15(20(18,19)17-16)14(8-12)11(5)6/h7-11,17H,16H2,1-6H310061529127938860190
3,3-Dimethyl-1-(trifluoromethyl)-1,2-benziodoxole332.1C10H10O1F3I1HVAPLSNCVYXFDQHVAPLSNCVYXFDQ-UHFFFAOYSA-NCC1(C)O[IH2](C(F)(F)F)c2ccccc21InChI=1S/C10H10F3IO/c1-9(2)7-5-3-4-6-8(7)14(15-9)10(11,12)13/h3-6H,1-2H31762271851130254615197
[(3-cyclopentyl-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl]acetonitrile285.37C15H15O1N3S1GVYOJOUVCITTFMGVYOJOUVCITTFM-UHFFFAOYSA-NN#CCSc1nc2ccccc2c(=O)n1C1CCCC1InChI=1S/C15H15N3OS/c16-9-10-20-15-17-13-8-4-3-7-12(13)14(19)18(15)11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,10H234329400327313404190
2-(4-amino-3-nitrobenzoyl)benzoic acid286.24C14H10O5N2NYGUWSCZBSDNCANYGUWSCZBSDNCA-UHFFFAOYSA-NNc1ccc(C(=O)c2ccccc2C(=O)O)cc1[N+](=O)[O-]InChI=1S/C14H10N2O5/c15-11-6-5-8(7-12(11)16(20)21)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,15H2,(H,18,19)19607912627721640192
N-[2-(2,6-dimethyl-4-morpholinyl)propyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide336.46C16H24O2N4S1HWEZOUIHCHGASVHWEZOUIHCHGASV-UHFFFAOYSA-NCC1CN(C(C)CNC(=O)Cc2cn3ccsc3n2)CC(C)O1InChI=1S/C16H24N4O2S/c1-11(20-8-12(2)22-13(3)9-20)7-17-15(21)6-14-10-19-4-5-23-16(19)18-14/h4-5,10-13H,6-9H2,1-3H3,(H,17,21)344253402240667535190
4-FLUORO-1H-INDAZOL-6-OL152.13C7H5O1N2F1CPPKHLKUXJHWETCPPKHLKUXJHWET-UHFFFAOYSA-NOc1cc(F)c2cn[nH]c2c1InChI=1S/C7H5FN2O/c8-6-1-4(11)2-7-5(6)3-9-10-7/h1-3,11H,(H,9,10)386056259336671043195
(S)-N-(2-AMINO-4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-6-YL)-PROPIONAMIDE225.32C10H15O1N3S1VVPFOYOFGUBZRYVVPFOYOFGUBZRY-LURJTMIESA-N[H]C1(NC(=O)CC)CCc2nc(N)sc2C1InChI=1S/C10H15N3OS/c1-2-9(14)12-6-3-4-7-8(5-6)15-10(11)13-7/h6H,2-5H2,1H3,(H2,11,13)(H,12,14)/t6-/m0/s16752950367529087195
2,3,3-trichloroacrylamide174.41C3H2O1N1Cl3BJVAUAPBLDCULSBJVAUAPBLDCULS-UHFFFAOYSA-NNC(=O)C(Cl)=C(Cl)ClInChI=1S/C3H2Cl3NO/c4-1(2(5)6)3(7)8/h(H2,7,8)94734032828440290195
2-(4-chlorophenyl)-2-oxoethyl N,N-dimethylcarbamodithioate273.81C11H12O1N1Cl1S2MERMCWRIKDJYCIMERMCWRIKDJYCI-UHFFFAOYSA-NCN(C)C(=S)SCC(=O)c1ccc(Cl)cc1InChI=1S/C11H12ClNOS2/c1-13(2)11(15)16-7-10(14)8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H319608799334980938192
2-amino-4-(difluoromethoxy)-5-methoxybenzoic acid233.17C9H9O4N1F2KHUKTMIHJHVLSIKHUKTMIHJHVLSI-UHFFFAOYSA-NCOc1cc(C(=O)O)c(N)cc1OC(F)FInChI=1S/C9H9F2NO4/c1-15-6-2-4(8(13)14)5(12)3-7(6)16-9(10)11/h2-3,9H,12H2,1H3,(H,13,14)447930391100800717190
8-ethyl-5-oxo-2-(1-pyrrolidinyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid288.31C14H16O3N4RCIMBBZXSXFZBVRCIMBBZXSXFZBV-UHFFFAOYSA-NCCn1cc(C(=O)O)c(=O)c2cnc(N3CCCC3)nc21InChI=1S/C14H16N4O3/c1-2-17-8-10(13(20)21)11(19)9-7-15-14(16-12(9)17)18-5-3-4-6-18/h7-8H,2-6H2,1H3,(H,20,21)106380017028796912198
1-amino-4-chloro-2-methylanthra-9,10-quinone271.7C15H10O2N1Cl1XHWWVXZEALFXQAXHWWVXZEALFXQA-UHFFFAOYSA-NCc1cc(Cl)c2c(c1N)C(=O)c1ccccc1C2=OInChI=1S/C15H10ClNO2/c1-7-6-10(16)11-12(13(7)17)15(19)9-5-3-2-4-8(9)14(11)18/h2-6H,17H2,1H34745119928507672190
N-methyl-N-(propan-2-yl)piperidin-4-amine156.27C9H20N2GATDBLAWLPINOTGATDBLAWLPINOT-UHFFFAOYSA-NCC(C)N(C)C1CCNCC1InChI=1S/C9H20N2/c1-8(2)11(3)9-4-6-10-7-5-9/h8-10H,4-7H2,1-3H341317376861682472195
2-CHLORO-6-BROMO-7-METHOXYQUINAZOLINE273.52C9H6O1N2Cl1Br1DQXKBPJZXVQDEUDQXKBPJZXVQDEU-UHFFFAOYSA-NCOc1cc2nc(Cl)ncc2cc1BrInChI=1S/C9H6BrClN2O/c1-14-8-3-7-5(2-6(8)10)4-12-9(11)13-7/h2-4H,1H3443543026326450294195
(2S)-2-amino-4-(tert-butoxy)-4-oxobutanoic acid189.21C8H15O4N1MXWMFBYWXMXRPDMXWMFBYWXMXRPD-YFKPBYRVSA-N[H]C(N)(CC(=O)OC(C)(C)C)C(=O)OInChI=1S/C8H15NO4/c1-8(2,3)13-6(10)4-5(9)7(11)12/h5H,4,9H2,1-3H3,(H,11,12)/t5-/m0/s141050084328831189190
2-METHYLBUT-3-YN-2-YL ACETATE126.15C7H10O2HBSFTVGBQDJTAWHBSFTVGBQDJTAW-UHFFFAOYSA-NC#CC(C)(C)OC(C)=OInChI=1S/C7H10O2/c1-5-7(3,4)9-6(2)8/h1H,2-4H351725019128503945195
(2S)-1-cyclohexylpropan-2-amine hydrochloride141.26C9H20N1Cl1GIXSTBOIKJPUKDGIXSTBOIKJPUKD-QMMMGPOBSA-N[H]C(C)(N)CC1CCCCC1InChI=1S/C9H19N/c1-8(10)7-9-5-3-2-4-6-9/h8-9H,2-7,10H2,1H3/t8-/m0/s1428683478428683412195
2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-1,9-nonanediol412.12C9H6O2F14XQULMKMNFZLURSXQULMKMNFZLURS-UHFFFAOYSA-NOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COInChI=1S/C9H6F14O2/c10-3(11,1-24)5(14,15)7(18,19)9(22,23)8(20,21)6(16,17)4(12,13)2-25/h24-25H,1-2H234468183728830982190
SDZ 205-557 hydrochloride300.79C14H22O3N2Cl2FFNWMBDISAYHDCFFNWMBDISAYHDC-UHFFFAOYSA-NCCN(CC)CCOC(=O)c1cc(Cl)c(N)cc1OCInChI=1S/C14H21ClN2O3/c1-4-17(5-2)6-7-20-14(18)10-8-11(15)12(16)9-13(10)19-3/h8-9H,4-7,16H2,1-3H39026585128780580198
A,A-DIMETHYLBENZYLCHLORIDE154.64C9H11Cl1KPJKMUJJFXZGAXKPJKMUJJFXZGAX-UHFFFAOYSA-NCC(C)(Cl)c1ccccc1InChI=1S/C9H11Cl/c1-9(2,10)8-6-4-3-5-7-8/h3-7H,1-2H393988388528785864195
5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)nicotinamide313.18C10H9O1N4Br1S1FEZXXQHGTMKOQNFEZXXQHGTMKOQN-UHFFFAOYSA-NCCc1nnc(NC(=O)c2cncc(Br)c2)s1InChI=1S/C10H9BrN4OS/c1-2-8-14-15-10(17-8)13-9(16)6-3-7(11)5-12-4-6/h3-5H,2H2,1H3,(H,13,15,16)106948539532943376190
5-Bromo-2-(trifluoromethoxy)benzylamine270.05C8H7O1N1Br1F3NJQPNUQKZRXPOSNJQPNUQKZRXPOS-UHFFFAOYSA-NNCc1cc(Br)ccc1OC(F)(F)FInChI=1S/C8H7BrF3NO/c9-6-1-2-7(5(3-6)4-13)14-8(10,11)12/h1-3H,4,13H2371603644326419550195
3-fluoro-2-thiophenecarboxylic acid146.14C5H3O2S1F1WPHRBUAOSDHRDSWPHRBUAOSDHRDS-UHFFFAOYSA-NO=C(O)c1sccc1FInChI=1S/C5H3FO2S/c6-3-1-2-9-4(3)5(7)8/h1-2H,(H,7,8)46562956328753651190
tetrahydro-3-thienylamine hydrochloride103.19C4H10N1Cl1S1GBNRIMMKLMTDLWGBNRIMMKLMTDLW-UHFFFAOYSA-NNC1CCSC1InChI=1S/C4H9NS/c5-4-1-2-6-3-4/h4H,1-3,5H2106944795970121055190
N-methyl-N-nonylamine hydrochloride157.3C10H24N1Cl1OZIXTIPURXIEMBOZIXTIPURXIEMB-UHFFFAOYSA-NCCCCCCCCCNCInChI=1S/C10H23N/c1-3-4-5-6-7-8-9-10-11-2/h11H,3-10H2,1-2H31069452997238713300190
3,6-Di-imidazol-1-yl-pyridazine212.22C10H8N6HGHPOOTWIHFSSFHGHPOOTWIHFSSF-UHFFFAOYSA-Nc1cn(-c2ccc(-n3ccnc3)nn2)cn1InChI=1S/C10H8N6/c1-2-10(16-6-4-12-8-16)14-13-9(1)15-5-3-11-7-15/h1-8H371471970151019841190
Pexidartinib417.82C20H15N5Cl1F3JGWRKYUXBBNENEJGWRKYUXBBNENE-UHFFFAOYSA-NFC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1InChI=1S/C20H15ClF3N5/c21-15-6-16-14(10-28-19(16)29-11-15)5-12-2-4-18(26-7-12)27-9-13-1-3-17(25-8-13)20(22,23)24/h1-4,6-8,10-11H,5,9H2,(H,26,27)(H,28,29)491599096457493855197
2-(aminomethyl)-4-nitrophenol hydrochloride168.15C7H9O3N2Cl1DAJRJDKWBYJJTBDAJRJDKWBYJJTB-UHFFFAOYSA-NNCc1cc([N+](=O)[O-])ccc1OInChI=1S/C7H8N2O3/c8-4-5-3-6(9(11)12)1-2-7(5)10/h1-3,10H,4,8H234363138352892834190
(4-methylphenyl){2-[(4-methylphenyl)amino]ethyl}amine240.35C16H20N2CSFJHJLPCWAQHCCSFJHJLPCWAQHC-UHFFFAOYSA-NCc1ccc(NCCNc2ccc(C)cc2)cc1InChI=1S/C16H20N2/c1-13-3-7-15(8-4-13)17-11-12-18-16-9-5-14(2)6-10-16/h3-10,17-18H,11-12H2,1-2H333925212227837690190
2-(4-bromo-1H-pyrazol-1-yl)aniline hydrochloride238.09C9H9N3Cl1Br1KGSHTTGFAAHMLSKGSHTTGFAAHMLS-UHFFFAOYSA-NNc1ccccc1-n1cc(Br)cn1InChI=1S/C9H8BrN3/c10-7-5-12-13(6-7)9-4-2-1-3-8(9)11/h1-6H,11H21069459906183888515190
4-bromo-3-ethoxyaniline hydrochloride216.08C8H11O1N1Cl1Br1QQAPQSYFPIYHGUQQAPQSYFPIYHGU-UHFFFAOYSA-NCCOc1cc(N)ccc1BrInChI=1S/C8H10BrNO/c1-2-11-8-5-6(10)3-4-7(8)9/h3-5H,2,10H2,1H344889259088359399195
Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate347.44C18H21O4N1S1AIQMFFCWDAIGNVAIQMFFCWDAIGNV-UHFFFAOYSA-NCCOC(=O)c1sc(-c2ccc(OCC(C)C)c(C=O)c2)nc1CInChI=1S/C18H21NO4S/c1-5-22-18(21)16-12(4)19-17(24-16)13-6-7-15(14(8-13)9-20)23-10-11(2)3/h6-9,11H,5,10H2,1-4H31762252918137796833197
1-{bis[(trifluoromethyl)sulfonyl]methyl}-2,3,4,5,6-pentafluorobenzene446.22C9H1O4S2F11RLLDXJXYMKTGPVRLLDXJXYMKTGPV-UHFFFAOYSA-NO=S(=O)(C(c1c(F)c(F)c(F)c(F)c1F)S(=O)(=O)C(F)(F)F)C(F)(F)FInChI=1S/C9HF11O4S2/c10-2-1(3(11)5(13)6(14)4(2)12)7(25(21,22)8(15,16)17)26(23,24)9(18,19)20/h7H310394975136435206190
3-Bromo-5-(trifluoromethoxy)benzyl alcohol271.03C8H6O2Br1F3CQQFETSXXFSLPOCQQFETSXXFSLPO-UHFFFAOYSA-NOCc1cc(Br)cc(OC(F)(F)F)c1InChI=1S/C8H6BrF3O2/c9-6-1-5(4-13)2-7(3-6)14-8(10,11)12/h1-3,13H,4H2245074226180876489197
2-amino-1-(3,4-dichlorophenyl)ethanone hydrochloride204.06C8H8O1N1Cl3JDUXXGSLDNSUNQJDUXXGSLDNSUNQ-UHFFFAOYSA-NNCC(=O)c1ccc(Cl)c(Cl)c1InChI=1S/C8H7Cl2NO/c9-6-2-1-5(3-7(6)10)8(12)4-11/h1-3H,4,11H2106945640327734292190
piperidin-3-amine dihydrochloride100.17C5H14N2Cl2PEUGKEHLRUVPANPEUGKEHLRUVPAN-UHFFFAOYSA-NNC1CCCNC1InChI=1S/C5H12N2/c6-5-2-1-3-7-4-5/h5,7H,1-4,6H241050130948709234190
3-(2-METHOXYPHENOXY)PROPYLAMINE HCL181.23C10H16O2N1Cl1JGYVHBXLANTDMOJGYVHBXLANTDMO-UHFFFAOYSA-NCOc1ccccc1OCCCNInChI=1S/C10H15NO2/c1-12-9-5-2-3-6-10(9)13-8-4-7-11/h2-3,5-6H,4,7-8,11H2,1H3638636310243828310195
ethyl 2-(chloromethyl)-4-phenylquinoline-3-carboxylate hydrochloride325.8C19H17O2N1Cl2ALIAVAGSVSBXQUALIAVAGSVSBXQU-UHFFFAOYSA-NCCOC(=O)c1c(CCl)nc2ccccc2c1-c1ccccc1InChI=1S/C19H16ClNO2/c1-2-23-19(22)18-16(12-20)21-15-11-7-6-10-14(15)17(18)13-8-4-3-5-9-13/h3-11H,2,12H2,1H341048608866529221190
5-Chloro-3-fluoro-2-(N-propylamino)pyridine, HCl188.63C8H11N2Cl2F1GSNZWJLCPUTDEJGSNZWJLCPUTDEJ-UHFFFAOYSA-NCCCNc1ncc(Cl)cc1FInChI=1S/C8H10ClFN2/c1-2-3-11-8-7(10)4-6(9)5-12-8/h4-5H,2-3H2,1H3,(H,11,12)245493856243701584195
N,N'-((1R,2R)-cyclohexane-1,2-diyl)dimethanesulfonamide270.38C8H18O4N2S2JUWLQVLCYRNWSVJUWLQVLCYRNWSV-HTQZYQBOSA-N[H]C1(NS(C)(=O)=O)CCCCC1([H])NS(C)(=O)=OInChI=1S/C8H18N2O4S2/c1-15(11,12)9-7-5-3-4-6-8(7)10-16(2,13)14/h7-10H,3-6H2,1-2H3/t7-,8-/m1/s1152196714528840882195
3-Bromo-5-vinylpyridine184.04C7H6N1Br1ZPDPNVDWYSQHOTZPDPNVDWYSQHOT-UHFFFAOYSA-NC=Cc1cncc(Br)c1InChI=1S/C7H6BrN/c1-2-6-3-7(8)5-9-4-6/h2-5H,1H21762252837316038152197
2,3-Dihydroxy-benzenepropanoic acid182.17C9H10O4QZDSXQJWBGMRLUQZDSXQJWBGMRLU-UHFFFAOYSA-NO=C(O)CCc1cccc(O)c1OInChI=1S/C9H10O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-3,10,13H,4-5H2,(H,11,12)142251663628779913197
PIGMENT RED 22;3-HYDROXY-4-[(2-METHYL-5-NITROPHENYL)AZO]-N-PHENYLNAPHTHALENE-2-CARBOXAMIDE426.43C24H18O4N4XYZMEPHFXJHGIXXYZMEPHFXJHGIX-CYYJNZCTSA-NCc1ccc([N+](=O)[O-])cc1N=Nc1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12InChI=1S/C24H18N4O4/c1-15-11-12-18(28(31)32)14-21(15)26-27-22-19-10-6-5-7-16(19)13-20(23(22)29)24(30)25-17-8-3-2-4-9-17/h2-14,29H,1H3,(H,25,30)/b27-26+638638609242785003195
(2R,4S)-Methyl 4-((tert-butoxycarbonyl)amino)pyrrolidine-2-carboxylate hydrochloride244.29C11H21O4N2Cl1QOJVDTYOYUAFQAQOJVDTYOYUAFQA-JGVFFNPUSA-N[H]C1(NC(=O)OC(C)(C)C)CNC([H])(C(=O)OC)C1InChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-7-5-8(12-6-7)9(14)16-4/h7-8,12H,5-6H2,1-4H3,(H,13,15)/t7-,8+/m0/s11762263504243840079197
6-Chlorosulfonyl-2-hydroxy-naphthalene-1-carboxylicacid286.69C11H7O5Cl1S1YTGWIRDQNSSAJXYTGWIRDQNSSAJX-UHFFFAOYSA-NO=C(O)c1c(O)ccc2cc(S(=O)(=O)Cl)ccc12InChI=1S/C11H7ClO5S/c12-18(16,17)7-2-3-8-6(5-7)1-4-9(13)10(8)11(14)15/h1-5,13H,(H,14,15)40211295748703171195
5-(4-chlorophenyl)-3H-1,2-dithiole-3-thione244.79C9H5Cl1S3PORXOKAPCYTNPQPORXOKAPCYTNPQ-UHFFFAOYSA-NS=c1cc(-c2ccc(Cl)cc2)ss1InChI=1S/C9H5ClS3/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5H19609152028445098192
4-(morpholin-4-yl)-6-[(4-phenylpiperazin-1-yl)methyl]-1,3,5-triazin-2-amine355.45C18H25O1N7XOJPBSDJHKZZMLXOJPBSDJHKZZML-UHFFFAOYSA-NNc1nc(CN2CCN(c3ccccc3)CC2)nc(N2CCOCC2)n1InChI=1S/C18H25N7O/c19-17-20-16(21-18(22-17)25-10-12-26-13-11-25)14-23-6-8-24(9-7-23)15-4-2-1-3-5-15/h1-5H,6-14H2,(H2,19,20,21,22)12801753670771751192
(S)-2-(2-(1H-Indol-3-yl)acetamido)succinic acid290.27C14H14O5N2VAFNMNRKDDAKRMVAFNMNRKDDAKRM-NSHDSACASA-N[H]C(CC(=O)O)(NC(=O)Cc1c[nH]c2ccccc12)C(=O)OInChI=1S/C14H14N2O5/c17-12(16-11(14(20)21)6-13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)/t11-/m0/s1176228879368546767197
4-Amino-2-chloro-5-hydroxybenzensulfonamide222.65C6H7O3N2Cl1S1WUDOEWHXJCBYJHWUDOEWHXJCBYJH-UHFFFAOYSA-NNc1cc(Cl)c(S(N)(=O)=O)cc1OInChI=1S/C6H7ClN2O3S/c7-3-1-4(8)5(10)2-6(3)13(9,11)12/h1-2,10H,8H2,(H2,9,11,12)37160116628841356195
5-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)thiophene-2-carboxamide260.32C13H12O2N2S1GRBCRIRUYKIFPUGRBCRIRUYKIFPU-UHFFFAOYSA-NNC(=O)c1ccc(-c2ccc3c(c2)NCCO3)s1InChI=1S/C13H12N2O2S/c14-13(16)12-4-3-11(18-12)8-1-2-10-9(7-8)15-5-6-17-10/h1-4,7,15H,5-6H2,(H2,14,16)413173422413173387195
N-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-2-naphthalenesulfonamide428.47C24H16O4N2S1SYRKOPHMPLPLPQSYRKOPHMPLPLPQ-UHFFFAOYSA-NO=c1oc(-c2ccccc2NS(=O)(=O)c2ccc3ccccc3c2)nc2ccccc12InChI=1S/C24H16N2O4S/c27-24-20-10-4-5-11-21(20)25-23(30-24)19-9-3-6-12-22(19)26-31(28,29)18-14-13-16-7-1-2-8-17(16)15-18/h1-15,26H14998183426883134190
(2S,4S)-2,4-Bis(diphenylphosphino)pentane440.51C29H30P2CTYPJIUQROQJBGCTYPJIUQROQJBG-DQEYMECFSA-N[H]C(C)(CC([H])(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1InChI=1S/C29H30P2/c1-24(30(26-15-7-3-8-16-26)27-17-9-4-10-18-27)23-25(2)31(28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-22,24-25H,23H2,1-2H3/t24-,25-/m0/s115633254028802211190
1-Chloro-3-fluoro-5-(3-nitrophenyl)benzene251.64C12H7O2N1Cl1F1YJFZOQWCPOYMGLYJFZOQWCPOYMGL-UHFFFAOYSA-NO=[N+]([O-])c1cccc(-c2cc(F)cc(Cl)c2)c1InChI=1S/C12H7ClFNO2/c13-10-4-9(5-11(14)7-10)8-2-1-3-12(6-8)15(16)17/h1-7H360883501360883177195
2-ethenylphenol120.15C8H8O1JESXATFQYMPTNLJESXATFQYMPTNL-UHFFFAOYSA-NC=Cc1ccccc1OInChI=1S/C8H8O/c1-2-7-5-3-4-6-8(7)9/h2-6,9H,1H249004820428766564195
N-(2,2-DIMETHOXYETHYL)METHACRYLAMIDE173.21C8H15O3N1MGARLISKINLYPIMGARLISKINLYPI-UHFFFAOYSA-NC=C(C)C(=O)NCC(OC)OCInChI=1S/C8H15NO3/c1-6(2)8(10)9-5-7(11-3)12-4/h7H,1,5H2,2-4H3,(H,9,10)106155619870807115195
4-CHLORO-5-IODO-7-((4-METHOXY-3,5-DIMETHYLPYRIDIN-2-YL)METHYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE443.68C15H15O1N5Cl1I1CEZDADICECYSPSCEZDADICECYSPS-UHFFFAOYSA-NCOc1c(C)cnc(Cn2cc(I)c3c(Cl)nc(N)nc32)c1CInChI=1S/C15H15ClIN5O/c1-7-4-19-10(8(2)12(7)23-3)6-22-5-9(17)11-13(16)20-15(18)21-14(11)22/h4-5H,6H2,1-3H3,(H2,18,20,21)514311227245535449195
2,8-DIAZASPIRO[4.5]DECANE140.23C8H16N2WYZZNMWIWHRXRMWYZZNMWIWHRXRM-UHFFFAOYSA-NC1CC2(CCN1)CCNC2InChI=1S/C8H16N2/c1-4-9-5-2-8(1)3-6-10-7-8/h9-10H,1-7H2429350853182129519195
TERT-BUTYL 3-(P-TOLYLSULFONYLOXY)PIPERIDINE-1-CARBOXYLATE355.46C17H25O5N1S1SKOKKOPKFKENHXSKOKKOPKFKENHX-UHFFFAOYSA-NCc1ccc(S(=O)(=O)OC2CCCN(C(=O)OC(C)(C)C)C2)cc1InChI=1S/C17H25NO5S/c1-13-7-9-15(10-8-13)24(20,21)23-14-6-5-11-18(12-14)16(19)22-17(2,3)4/h7-10,14H,5-6,11-12H2,1-4H3341033703182117787195
4,5-DIFLUORO-2-IODOPHENOL255.99C6H3O1F2I1OHSZEZNXAOQRPCOHSZEZNXAOQRPC-UHFFFAOYSA-NOc1cc(F)c(F)cc1IInChI=1S/C6H3F2IO/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H1061579502386046390195
9-Bromo-10-(naphthalen-1-yl)anthracene383.29C24H15Br1SYACRXBYRNYMLNSYACRXBYRNYMLN-UHFFFAOYSA-NBrc1c2ccccc2c(-c2cccc3ccccc23)c2ccccc12InChI=1S/C24H15Br/c25-24-21-13-5-3-11-19(21)23(20-12-4-6-14-22(20)24)18-15-7-9-16-8-1-2-10-17(16)18/h1-15H428314181183146536195

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