Vitas-M small molecule compound

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

Catalog ID
STK886061
SMILES COc1ccc(cc1)C(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)OCc1ccccc1)c1ccccc1Cl

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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 C30H25ClN2O4S MW 545.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25ClN2O4S/c1-19-27(30(35)37-17-20-8-4-3-5-9-20)28(23-10-6-7-11-25(23)31)24(16-32)29(33-19)38-18-26(34)21-12-14-22(36-2)15-13-21/h3-15,28,33H,17-18H2,1-2H3
InChIKey
SRLZPNXULIQNQH-UHFFFAOYSA-N
Synonyms

benzyl4(2chlorophenyl)5cyano6((2(4methoxyphenyl)2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
benzyl4(2chlorophenyl)5cyano6(2(4methoxyphenyl)2oxoethyl)sulfanyl2methyl14dihydropyridine3carboxylate
CC1=C(C(C(=C(N1)SCC(=O)C2=CC=C(C=C2)OC)C#N)C3=CC=CC=C3Cl)C(=O)OCC4=CC=CC=C4
InChI=1SC30H25ClN2O4Sc11927(30(35)3717208435920)28(2310671125(23)31)24(1632)29(3319)381826(34)21121422(362)151321h3152833H1718H212H3
MFCD10086615
ZINC000102808287
ZINC000102808290

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Available files

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