Vitas-M small molecule compound
benzyl [(3-cyano-6-hydroxy-4-phenyl-4,5-dihydropyridin-2-yl)sulfanyl]acetate
Catalog ID
STK590397
SMILES N#CC1=C(SCC(=O)OCc2ccccc2)N=C(CC1c1ccccc1)O
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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 C21H18N2O3S MW 378.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O3S/c22-12-18-17(16-9-5-2-6-10-16)11-19(24)23-21(18)27-14-20(25)26-13-15-7-3-1-4-8-15/h1-10,17H,11,13-14H2,(H,23,24)InChIKey
OFXKAMPAVNRASZ-UHFFFAOYSA-NSynonyms
benzyl((3cyano6hydroxy4phenyl45dihydropyridin2yl)sulfanyl)acetate
BENZYL2((5CYANO2OXO4PHENYL34DIHYDRO1HPYRIDIN6YL)SULFANYL)ACETATE
C1C(C(=C(NC1=O)SCC(=O)OCC2=CC=CC=C2)C#N)C3=CC=CC=C3
InChI=1SC21H18N2O3Sc22121817(1695261016)1119(24)2321(18)271420(25)2613157314815h11017H111314H2(H2324)
MFCD07210913
ZINC000009015458
ZINC000009015459
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