Vitas-M small molecule compound
methyl {[3-cyano-4-(4-ethylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Catalog ID
STK860593
SMILES COC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccc(cc1)CC
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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/c1-3-11-4-6-12(7-5-11)13-8-15(20)19-17(14(13)9-18)23-10-16(21)22-2/h4-7,13H,3,8,10H2,1-2H3,(H,19,20)InChIKey
JWMNFILRCDIXRE-UHFFFAOYSA-NSynonyms
332050-69-8332050698
CCC1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)SCC(=O)OC
InChI=1SC17H18N2O3Sc13114612(7511)13815(20)1917(14(13)918)231016(21)222h4713H3810H212H3(H1920)
methyl((3cyano4(4ethylphenyl)6oxo1456tetrahydropyridin2yl)sulfanyl)acetate
methyl2((3cyano4(4ethylphenyl)6oxo1456tetrahydropyridin2yl)thio)acetate
METHYL2((5CYANO4(4ETHYLPHENYL)2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)ACETATE
MFCD01464785
ZINC000009324656
ZINC000009324658
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