Vitas-M small molecule compound
benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-({2-[(4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK538461
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2)C)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/c1-19-8-14-24(15-9-19)34-26(35)18-38-29-25(16-32)28(22-10-12-23(31)13-11-22)27(20(2)33-29)30(36)37-17-21-6-4-3-5-7-21/h3-15,28,33H,17-18H2,1-2H3,(H,34,35)InChIKey
OWAYWKFTZFSFBT-UHFFFAOYSA-NSynonyms
384358-10-5384358105
benzyl4(4chlorophenyl)5cyano2methyl6((2((4methylphenyl)amino)2oxoethyl)sulfanyl)14dihydropyridine3carboxylate
benzyl4(4chlorophenyl)5cyano2methyl6((2oxo2(ptolylamino)ethyl)thio)14dihydropyridine3carboxylate
BENZYL4(4CHLOROPHENYL)5CYANO2METHYL6(2(4METHYLANILINO)2OXOETHYL)SULFANYL14DIHYDROPYRIDINE3CARBOXYLATE
CC1=CC=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)Cl)C#N
InChI=1SC30H26ClN3O3Sc11981424(15919)3426(35)18382925(1632)28(22101223(31)131122)27(20(2)3329)30(36)3717216435721h3152833H1718H212H3(H3435)
MFCD03001014
ZINC000097951280
ZINC000097951281
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