Vitas-M small molecule compound
methyl 5-cyano-6-[(3-ethoxy-3-oxopropanoyl)sulfanyl]-4-(4-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK887390
SMILES CCOC(=O)CC(=O)SC1=C(C#N)C(C(C(=O)N1)C(=O)OC)c1ccc(cc1)OCC
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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 C21H22N2O7S MW 446.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O7S/c1-4-29-13-8-6-12(7-9-13)17-14(11-22)20(23-19(26)18(17)21(27)28-3)31-16(25)10-15(24)30-5-2/h6-9,17-18H,4-5,10H2,1-3H3,(H,23,26)InChIKey
OPRHCFLVJMVBDC-UHFFFAOYSA-NSynonyms
CCOC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SC(=O)CC(=O)OCC)C(=O)OC
InChI=1SC21H22N2O7Sc1429138612(7913)1714(1122)20(2319(26)18(17)21(27)283)3116(25)1015(24)3052h691718H4510H213H3(H2326)
methyl5cyano6((3ethoxy3oxopropanoyl)sulfanyl)4(4ethoxyphenyl)2oxo1234tetrahydropyridine3carboxylate
methyl5cyano6(3ethoxy3oxopropanoyl)sulfanyl4(4ethoxyphenyl)2oxo34dihydro1Hpyridine3carboxylate
MFCD18172045
ZINC000102812732
ZINC000102812737
Check stock
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Check stock on Vitas-MAvailable files
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