Vitas-M small molecule compound
benzyl 4-(4-chlorophenyl)-5-cyano-6-({2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK826499
SMILES N#CC1=C(SCC(=O)Nc2cc(C)cc(c2)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/c1-19-13-20(2)15-25(14-19)35-27(36)18-39-30-26(16-33)29(23-9-11-24(32)12-10-23)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
MBOWCHNODXULKO-UHFFFAOYSA-NSynonyms
benzyl4(4chlorophenyl)5cyano6((2((35dimethylphenyl)amino)2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
benzyl4(4chlorophenyl)5cyano6(2(35dimethylanilino)2oxoethyl)sulfanyl2methyl14dihydropyridine3carboxylate
CC1=CC(=CC(=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=1SC31H28ClN3O3Sc1191320(2)1525(1419)3527(36)18393026(1633)29(2391124(32)121023)28(21(3)3430)31(37)3817227546822h4152934H1718H213H3(H3536)
MFCD10086443
ZINC000098048717
ZINC000098048718
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