Vitas-M small molecule compound
prop-2-en-1-yl 4-(4-chlorophenyl)-5-cyano-6-({2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK542796
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)Nc1ccc(c(c1)C)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 C27H26ClN3O3S MW 508.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClN3O3S/c1-5-12-34-27(33)24-18(4)30-26(22(14-29)25(24)19-7-9-20(28)10-8-19)35-15-23(32)31-21-11-6-16(2)17(3)13-21/h5-11,13,25,30H,1,12,15H2,2-4H3,(H,31,32)InChIKey
GAAUBKSZINJINC-UHFFFAOYSA-NSynonyms
489404-50-4489404504
allyl4(4chlorophenyl)5cyano6((2((34dimethylphenyl)amino)2oxoethyl)thio)2methyl14dihydropyridine3carboxylate
CC1=C(C=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC=C)C3=CC=C(C=C3)Cl)C#N)C
InChI=1SC27H26ClN3O3Sc15123427(33)2418(4)3026(22(1429)25(24)197920(28)10819)351523(32)312111616(2)17(3)1321h511132530H11215H224H3(H3132)
MFCD03296151
prop2en1yl4(4chlorophenyl)5cyano6((2((34dimethylphenyl)amino)2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
PROP2ENYL4(4CHLOROPHENYL)5CYANO6(2(34DIMETHYLANILINO)2OXOETHYL)SULFANYL2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000020082323
ZINC000020082328
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