Vitas-M small molecule compound
methyl 2-[({[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK826490
SMILES COc1ccc(cc1)C1C(=C(SCC(=O)Nc2ccccc2C(=O)OC)NC2=C1C(=O)CC(C2)(C)C)C#N
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C29H29N3O5S MW 531.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O5S/c1-29(2)13-22-26(23(33)14-29)25(17-9-11-18(36-3)12-10-17)20(15-30)27(32-22)38-16-24(34)31-21-8-6-5-7-19(21)28(35)37-4/h5-12,25,32H,13-14,16H2,1-4H3,(H,31,34)InChIKey
PMCROFGEZZBNRX-UHFFFAOYSA-NSynonyms
575461-15-3575461153
CC1(CC2=C(C(C(=C(N2)SCC(=O)NC3=CC=CC=C3C(=O)OC)C#N)C4=CC=C(C=C4)OC)C(=O)C1)C
InChI=1SC29H29N3O5Sc129(2)132226(23(33)1429)25(1791118(363)121017)20(1530)27(3222)381624(34)3121865719(21)28(35)374h5122532H131416H214H3(H3134)
methyl2((((3cyano4(4methoxyphenyl)77dimethyl5oxo145678hexahydroquinolin2yl)sulfanyl)acetyl)amino)benzoate
methyl2((2((3cyano4(4methoxyphenyl)77dimethyl5oxo1468tetrahydroquinolin2yl)sulfanyl)acetyl)amino)benzoate
methyl2(2((3cyano4(4methoxyphenyl)77dimethyl5oxo145678hexahydroquinolin2yl)thio)acetamido)benzoate
MFCD04026683
ZINC000002376806
ZINC000002376808
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