Vitas-M small molecule compound
methyl {[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Catalog ID
STK838616
SMILES COC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccc(c(c1)OC)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 C16H16N2O5S MW 348.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O5S/c1-22-13-5-9(3-4-12(13)19)10-6-14(20)18-16(11(10)7-17)24-8-15(21)23-2/h3-5,10,19H,6,8H2,1-2H3,(H,18,20)InChIKey
CUNHUYZMDJJYRP-UHFFFAOYSA-NSynonyms
375838-11-2375838112
COC1=C(C=CC(=C1)C2CC(=O)NC(=C2C#N)SCC(=O)OC)O
InChI=1SC16H16N2O5Sc1221359(3412(13)19)10614(20)1816(11(10)717)24815(21)232h351019H68H212H3(H1820)
methyl((3cyano4(4hydroxy3methoxyphenyl)6oxo1456tetrahydropyridin2yl)sulfanyl)acetate
methyl2((3cyano4(4hydroxy3methoxyphenyl)6oxo1456tetrahydropyridin2yl)thio)acetate
METHYL2((5CYANO4(4HYDROXY3METHOXYPHENYL)2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)ACETATE
MFCD01578995
ZINC000009015494
ZINC000009015495
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