Vitas-M small molecule compound
benzyl 4-(4-chlorophenyl)-5-cyano-6-({2-[(2,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK538433
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2C)C)NC(=C(C1c1ccc(cc1)Cl)C(=O)OCc1ccccc1)C
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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 C31H28ClN3O3S MW 558.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClN3O3S/c1-19-9-14-26(20(2)15-19)35-27(36)18-39-30-25(16-33)29(23-10-12-24(32)13-11-23)28(21(3)34-30)31(37)38-17-22-7-5-4-6-8-22/h4-15,29,34H,17-18H2,1-3H3,(H,35,36)InChIKey
WCABAIKPWCMQEO-UHFFFAOYSA-NSynonyms
benzyl4(4chlorophenyl)5cyano6((2((24dimethylphenyl)amino)2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
benzyl4(4chlorophenyl)5cyano6((2((24dimethylphenyl)amino)2oxoethyl)thio)2methyl14dihydropyridine3carboxylate
BENZYL4(4CHLOROPHENYL)5CYANO6(2(24DIMETHYLANILINO)2OXOETHYL)SULFANYL2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
CC1=CC(=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)Cl)C#N)C
InChI=1SC31H28ClN3O3Sc11991426(20(2)1519)3527(36)18393025(1633)29(23101224(32)131123)28(21(3)3430)31(37)3817227546822h4152934H1718H213H3(H3536)
MFCD02999437
ZINC000097999576
ZINC000097999577
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