Vitas-M small molecule compound
methyl 5-cyano-4-(4-methoxyphenyl)-6-(methylsulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK827262
SMILES COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)OC)C#N)SC
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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/c1-21-10-6-4-9(5-7-10)12-11(8-17)15(23-3)18-14(19)13(12)16(20)22-2/h4-7,12-13H,1-3H3,(H,18,19)InChIKey
HIGPVJUWMIUVTB-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SC)C(=O)OC
InChI=1SC16H16N2O4Sc12110649(5710)1211(817)15(233)1814(19)13(12)16(20)222h471213H13H3(H1819)
methyl5cyano4(4methoxyphenyl)6(methylsulfanyl)2oxo1234tetrahydropyridine3carboxylate
methyl5cyano4(4methoxyphenyl)6methylsulfanyl2oxo34dihydro1Hpyridine3carboxylate
MFCD10087498
ZINC000012276346
ZINC000012276349
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