Vitas-M small molecule compound
methyl 6-(benzylsulfanyl)-5-cyano-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK538568
SMILES COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)C)C#N)SCc1ccccc1
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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 C22H20N2O3S MW 392.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O3S/c1-14-8-10-16(11-9-14)18-17(12-23)21(24-20(25)19(18)22(26)27-2)28-13-15-6-4-3-5-7-15/h3-11,18-19H,13H2,1-2H3,(H,24,25)InChIKey
SYACHHJHUNLOSE-UHFFFAOYSA-NSynonyms
384357-08-8384357088
CC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC3=CC=CC=C3)C(=O)OC
InChI=1SC22H20N2O3Sc11481016(11914)1817(1223)21(2420(25)19(18)22(26)272)2813156435715h3111819H13H212H3(H2425)
methyl6(benzylsulfanyl)5cyano4(4methylphenyl)2oxo1234tetrahydropyridine3carboxylate
methyl6(benzylthio)5cyano2oxo4(ptolyl)1234tetrahydropyridine3carboxylate
METHYL6BENZYLSULFANYL5CYANO4(4METHYLPHENYL)2OXO34DIHYDRO1HPYRIDINE3CARBOXYLATE
MFCD03000939
ZINC000009087568
ZINC000009088740
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