Vitas-M small molecule compound
methyl {[3-cyano-4-(3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Catalog ID
STK860573
SMILES COC(=O)CSC1=C(C#N)C(CC(=O)N1)c1cccc(c1)OC
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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 C16H16N2O4S MW 332.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O4S/c1-21-11-5-3-4-10(6-11)12-7-14(19)18-16(13(12)8-17)23-9-15(20)22-2/h3-6,12H,7,9H2,1-2H3,(H,18,19)InChIKey
BFYRUYKJNSQQER-UHFFFAOYSA-NSynonyms
COC1=CC=CC(=C1)C2CC(=O)NC(=C2C#N)SCC(=O)OC
InChI=1SC16H16N2O4Sc1211153410(611)12714(19)1816(13(12)817)23915(20)222h3612H79H212H3(H1819)
methyl((3cyano4(3methoxyphenyl)6oxo1456tetrahydropyridin2yl)sulfanyl)acetate
methyl2((3cyano4(3methoxyphenyl)6oxo1456tetrahydropyridin2yl)thio)acetate
METHYL2((5CYANO4(3METHOXYPHENYL)2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)ACETATE
MFCD01464561
ZINC000009015087
ZINC000009015088
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Check stock on Vitas-MAvailable files
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