Vitas-M small molecule compound
benzyl 4-(4-chlorophenyl)-5-cyano-6-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK885909
SMILES COc1ccc(cc1)C(=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 C30H25ClN2O4S MW 545.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25ClN2O4S/c1-19-27(30(35)37-17-20-6-4-3-5-7-20)28(22-8-12-23(31)13-9-22)25(16-32)29(33-19)38-18-26(34)21-10-14-24(36-2)15-11-21/h3-15,28,33H,17-18H2,1-2H3InChIKey
GTNQHROCAVSRBD-UHFFFAOYSA-NSynonyms
benzyl4(4chlorophenyl)5cyano6((2(4methoxyphenyl)2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
benzyl4(4chlorophenyl)5cyano6(2(4methoxyphenyl)2oxoethyl)sulfanyl2methyl14dihydropyridine3carboxylate
CC1=C(C(C(=C(N1)SCC(=O)C2=CC=C(C=C2)OC)C#N)C3=CC=C(C=C3)Cl)C(=O)OCC4=CC=CC=C4
InChI=1SC30H25ClN2O4Sc11927(30(35)3717206435720)28(2281223(31)13922)25(1632)29(3319)381826(34)21101424(362)151121h3152833H1718H212H3
MFCD10086456
ZINC000098048727
ZINC000098048728
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