Vitas-M small molecule compound
ethyl 5-cyano-2-methyl-4-[4-(methylsulfanyl)phenyl]-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Catalog ID
STK688065
SMILES CCOC(=O)C1=C(C)NC(=O)C(C1c1ccc(cc1)SC)C#N
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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 C17H18N2O3S MW 330.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N2O3S/c1-4-22-17(21)14-10(2)19-16(20)13(9-18)15(14)11-5-7-12(23-3)8-6-11/h5-8,13,15H,4H2,1-3H3,(H,19,20)InChIKey
YPAJFSODZRYGEU-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=O)C(C1C2=CC=C(C=C2)SC)C#N)C
ETHYL3CYANO6METHYL4(4METHYLSULFANYLPHENYL)2OXO34DIHYDRO1HPYRIDINE5CARBOXYLATE
ethyl5cyano2methyl4(4(methylsulfanyl)phenyl)6oxo1456tetrahydropyridine3carboxylate
InChI=1SC17H18N2O3Sc142217(21)1410(2)1916(20)13(918)15(14)115712(233)8611h581315H4H213H3(H1920)
MFCD07022822
ZINC000004770793
ZINC000004770797
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