Vitas-M small molecule compound
methyl 6-[(2-chlorobenzyl)sulfanyl]-5-cyano-4-(4-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK538495
SMILES CCOc1ccc(cc1)C1C(C(=O)OC)C(=O)NC(=C1C#N)SCc1ccccc1Cl
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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 C23H21ClN2O4S MW 456.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN2O4S/c1-3-30-16-10-8-14(9-11-16)19-17(12-25)22(26-21(27)20(19)23(28)29-2)31-13-15-6-4-5-7-18(15)24/h4-11,19-20H,3,13H2,1-2H3,(H,26,27)InChIKey
YMCULQYXIUWNNT-UHFFFAOYSA-NSynonyms
383893-86-5383893865
CCOC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC3=CC=CC=C3Cl)C(=O)OC
InChI=1SC23H21ClN2O4Sc13301610814(91116)1917(1225)22(2621(27)20(19)23(28)292)311315645718(15)24h4111920H313H212H3(H2627)
methyl6((2chlorobenzyl)sulfanyl)5cyano4(4ethoxyphenyl)2oxo1234tetrahydropyridine3carboxylate
methyl6((2chlorobenzyl)thio)5cyano4(4ethoxyphenyl)2oxo1234tetrahydropyridine3carboxylate
METHYL6((2CHLOROPHENYL)METHYLSULFANYL)5CYANO4(4ETHOXYPHENYL)2OXO34DIHYDRO1HPYRIDINE3CARBOXYLATE
MFCD03000610
ZINC000009089417
ZINC000009332757
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