Vitas-M small molecule compound
ethyl 6-(benzylsulfanyl)-5-cyano-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK725781
SMILES CCOC(=O)C1C(=O)NC(=C(C1c1ccccc1[N+](=O)[O-])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 C22H19N3O5S MW 437.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O5S/c1-2-30-22(27)19-18(15-10-6-7-11-17(15)25(28)29)16(12-23)21(24-20(19)26)31-13-14-8-4-3-5-9-14/h3-11,18-19H,2,13H2,1H3,(H,24,26)InChIKey
RJMPPBZFWKSFOQ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(=O)NC(=C(C1c1ccccc1(N+)(=O)(O))C#N)SCc1ccccc1
CCOC(=O)C1C(C(=C(NC1=O)SCC2=CC=CC=C2)C#N)C3=CC=CC=C3(N+)(=O)(O)
ethyl6(benzylsulfanyl)5cyano4(2nitrophenyl)2oxo1234tetrahydropyridine3carboxylate
ETHYL6BENZYLSULFANYL5CYANO4(2NITROPHENYL)2OXO34DIHYDRO1HPYRIDINE3CARBOXYLATE
InChI=1SC22H19N3O5Sc123022(27)1918(1510671117(15)25(28)29)16(1223)21(2420(19)26)3113148435914h3111819H213H21H3(H2426)
MFCD01461542
ZINC000000716373
ZINC000000716377
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