Vitas-M small molecule compound
methyl {[3-cyano-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Catalog ID
STK805855
SMILES COC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccc(cc1)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 C16H16N2O3S MW 316.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O3S/c1-10-3-5-11(6-4-10)12-7-14(19)18-16(13(12)8-17)22-9-15(20)21-2/h3-6,12H,7,9H2,1-2H3,(H,18,19)InChIKey
SKRHUYIAOHIWSN-UHFFFAOYSA-NSynonyms
332050-51-8332050518
CC1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)SCC(=O)OC
InChI=1SC16H16N2O3Sc1103511(6410)12714(19)1816(13(12)817)22915(20)212h3612H79H212H3(H1819)
methyl((3cyano4(4methylphenyl)6oxo1456tetrahydropyridin2yl)sulfanyl)acetate
methyl2((3cyano6oxo4(ptolyl)1456tetrahydropyridin2yl)thio)acetate
METHYL2((5CYANO4(4METHYLPHENYL)2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)ACETATE
MFCD01238974
ZINC000008973242
ZINC000008973244
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Check stock on Vitas-MAvailable files
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