Vitas-M small molecule compound
prop-2-en-1-yl 6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK886042
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1)C#N)SCC(=O)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 C25H21ClN2O3S MW 464.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN2O3S/c1-3-13-31-25(30)22-16(2)28-24(20(14-27)23(22)18-7-5-4-6-8-18)32-15-21(29)17-9-11-19(26)12-10-17/h3-12,23,28H,1,13,15H2,2H3InChIKey
KCCTYGUUMJKVBD-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC(=O)C2=CC=C(C=C2)Cl)C#N)C3=CC=CC=C3)C(=O)OCC=C
InChI=1SC25H21ClN2O3Sc13133125(30)2216(2)2824(20(1427)23(22)187546818)321521(29)1791119(26)121017h3122328H11315H22H3
MFCD10086590
prop2en1yl6((2(4chlorophenyl)2oxoethyl)sulfanyl)5cyano2methyl4phenyl14dihydropyridine3carboxylate
prop2enyl6(2(4chlorophenyl)2oxoethyl)sulfanyl5cyano2methyl4phenyl14dihydropyridine3carboxylate
ZINC000020347848
ZINC000020347849
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