Vitas-M small molecule compound
methyl 6-(benzylsulfanyl)-5-cyano-4-(2-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK827259
SMILES COC(=O)C1C(=O)NC(=C(C1c1ccccc1OC)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 C22H20N2O4S MW 408.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O4S/c1-27-17-11-7-6-10-15(17)18-16(12-23)21(24-20(25)19(18)22(26)28-2)29-13-14-8-4-3-5-9-14/h3-11,18-19H,13H2,1-2H3,(H,24,25)InChIKey
NHEKHACVOXRXGW-UHFFFAOYSA-NSynonyms
COC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC3=CC=CC=C3)C(=O)OC
InChI=1SC22H20N2O4Sc1271711761015(17)1816(1223)21(2420(25)19(18)22(26)282)2913148435914h3111819H13H212H3(H2425)
methyl6(benzylsulfanyl)5cyano4(2methoxyphenyl)2oxo1234tetrahydropyridine3carboxylate
methyl6benzylsulfanyl5cyano4(2methoxyphenyl)2oxo34dihydro1Hpyridine3carboxylate
MFCD10087492
ZINC000012276321
ZINC000012276327
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