Vitas-M small molecule compound
ethyl 2-{[3-cyano-6-methyl-4-phenyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl}propanoate
Catalog ID
STL297584
SMILES CCOC(=O)C(SC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1)c1ccccc1)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 C25H25N3O3S MW 447.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O3S/c1-4-31-25(30)17(3)32-24-20(15-26)22(18-11-7-5-8-12-18)21(16(2)27-24)23(29)28-19-13-9-6-10-14-19/h5-14,17,22,27H,4H2,1-3H3,(H,28,29)InChIKey
YGNZKCPTTZUEHN-UHFFFAOYSA-NSynonyms
369610-63-9369610639
CCOC(=O)C(C)SC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=CC=C3)C#N
ethyl2((3cyano6methyl4phenyl5(phenylcarbamoyl)14dihydropyridin2yl)sulfanyl)propanoate
ethyl2((3cyano6methyl4phenyl5(phenylcarbamoyl)14dihydropyridin2yl)thio)propanoate
InChI=1SC25H25N3O3Sc143125(30)17(3)322420(1526)22(18117581218)21(16(2)2724)23(29)28191396101419h514172227H4H213H3(H2829)
MFCD01114127
ZINC000013175737
ZINC000013175741
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