Vitas-M small molecule compound
benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-({2-[(2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK538131
SMILES N#CC1=C(SCC(=O)Nc2ccccc2C)NC(=C(C1c1ccc(cc1)Cl)C(=O)OCc1ccccc1)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 C30H26ClN3O3S MW 544.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26ClN3O3S/c1-19-8-6-7-11-25(19)34-26(35)18-38-29-24(16-32)28(22-12-14-23(31)15-13-22)27(20(2)33-29)30(36)37-17-21-9-4-3-5-10-21/h3-15,28,33H,17-18H2,1-2H3,(H,34,35)InChIKey
HSKQKBNFOODWKV-UHFFFAOYSA-NSynonyms
370843-02-0370843020
benzyl4(4chlorophenyl)5cyano2methyl6((2((2methylphenyl)amino)2oxoethyl)sulfanyl)14dihydropyridine3carboxylate
benzyl4(4chlorophenyl)5cyano2methyl6((2oxo2(otolylamino)ethyl)thio)14dihydropyridine3carboxylate
BENZYL4(4CHLOROPHENYL)5CYANO2METHYL6(2(2METHYLANILINO)2OXOETHYL)SULFANYL14DIHYDROPYRIDINE3CARBOXYLATE
CC1=CC=CC=C1NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)Cl)C#N
InChI=1SC30H26ClN3O3Sc1198671125(19)3426(35)18382924(1632)28(22121423(31)151322)27(20(2)3329)30(36)37172194351021h3152833H1718H212H3(H3435)
MFCD02999076
ZINC000097951241
ZINC000097951242
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