Vitas-M small molecule compound
methyl 2-[({[4-(2-chlorophenyl)-3-cyano-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK826798
SMILES N#CC1=C(SCC(=O)Nc2ccccc2C(=O)OC)NC(=C(C1c1ccccc1Cl)C(=O)Nc1ccccc1)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 C30H25ClN4O4S MW 573.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25ClN4O4S/c1-18-26(28(37)34-19-10-4-3-5-11-19)27(20-12-6-8-14-23(20)31)22(16-32)29(33-18)40-17-25(36)35-24-15-9-7-13-21(24)30(38)39-2/h3-15,27,33H,17H2,1-2H3,(H,34,37)(H,35,36)InChIKey
JIVZKRQEVPVWSX-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC=C2C(=O)OC)C#N)C3=CC=CC=C3Cl)C(=O)NC4=CC=CC=C4
InChI=1SC30H25ClN4O4Sc11826(28(37)3419104351119)27(2012681423(20)31)22(1632)29(3318)401725(36)352415971321(24)30(38)392h3152733H17H212H3(H3437)(H3536)
methyl2((((4(2chlorophenyl)3cyano6methyl5(phenylcarbamoyl)14dihydropyridin2yl)sulfanyl)acetyl)amino)benzoate
methyl2((2((4(2chlorophenyl)3cyano6methyl5(phenylcarbamoyl)14dihydropyridin2yl)sulfanyl)acetyl)amino)benzoate
MFCD10086753
ZINC000101000245
ZINC000101000247
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