Vitas-M small molecule compound

benzyl 4-(4-chlorophenyl)-5-cyano-6-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate

Catalog ID
STK538533
SMILES COc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)OCc1ccccc1)c1ccc(cc1)Cl

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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 C30H26ClN3O4S MW 560.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26ClN3O4S/c1-19-27(30(36)38-17-20-6-4-3-5-7-20)28(21-8-10-22(31)11-9-21)25(16-32)29(33-19)39-18-26(35)34-23-12-14-24(37-2)15-13-23/h3-15,28,33H,17-18H2,1-2H3,(H,34,35)
InChIKey
NVXFCDZSZYUWIQ-UHFFFAOYSA-N
Synonyms

benzyl4(4chlorophenyl)5cyano6((2((4methoxyphenyl)amino)2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
benzyl4(4chlorophenyl)5cyano6((2((4methoxyphenyl)amino)2oxoethyl)thio)2methyl14dihydropyridine3carboxylate
BENZYL4(4CHLOROPHENYL)5CYANO6(2(4METHOXYANILINO)2OXOETHYL)SULFANYL2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)OC)C#N)C3=CC=C(C=C3)Cl)C(=O)OCC4=CC=CC=C4
InChI=1SC30H26ClN3O4Sc11927(30(36)3817206435720)28(2181022(31)11921)25(1632)29(3319)391826(35)3423121424(372)151323h3152833H1718H212H3(H3435)
MFCD02999500
ZINC000097999375
ZINC000097999376

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Available files

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