Vitas-M small molecule compound
ethyl ({3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]-4-phenyl-1,4-dihydropyridin-2-yl}sulfanyl)acetate
Catalog ID
STK764681
SMILES CCOC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1C)c1ccccc1
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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 C25H25N3O3S MW 447.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O3S/c1-4-31-21(29)15-32-25-19(14-26)23(18-11-6-5-7-12-18)22(17(3)27-25)24(30)28-20-13-9-8-10-16(20)2/h5-13,23,27H,4,15H2,1-3H3,(H,28,30)InChIKey
VZQNKBZUWQCAQW-UHFFFAOYSA-NSynonyms
CCOC(=O)CSC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2C)C3=CC=CC=C3)C#N
ethyl((3cyano6methyl5((2methylphenyl)carbamoyl)4phenyl14dihydropyridin2yl)sulfanyl)acetate
ethyl2((3cyano6methyl4phenyl5(otolylcarbamoyl)14dihydropyridin2yl)thio)acetate
ETHYL2((3CYANO6METHYL5((2METHYLPHENYL)CARBAMOYL)4PHENYL14DIHYDROPYRIDIN2YL)SULFANYL)ACETATE
ETHYL2(3CYANO6METHYL5(N(2METHYLPHENYL)CARBAMOYL)4PHENYL214DIHYDROPYRIDYLTHIO)ACETATE
InChI=1SC25H25N3O3Sc143121(29)15322519(1426)23(18116571218)22(17(3)2725)24(30)282013981016(20)2h5132327H415H213H3(H2830)
MFCD02236056
ZINC000013055131
ZINC000013055147
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