Vitas-M small molecule compound
butyl 2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372390
SMILES CCCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CCC2
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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 C21H24N2O5 MW 384.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O5/c1-3-4-11-28-21(25)18-13(2)22-16-9-6-10-17(24)20(16)19(18)14-7-5-8-15(12-14)23(26)27/h5,7-8,12,19,22H,3-4,6,9-11H2,1-2H3InChIKey
BEUSUNLRLFFERK-UHFFFAOYSA-NSynonyms
299452-44-1299452441
butyl2methyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
butyl2methyl4(3nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
CCCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CCC2
CCCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)(N+)(=O)(O))C(=O)CCC2)C
InChI=1SC21H24N2O5c134112821(25)1813(2)2216961017(24)20(16)19(18)1475815(1214)23(26)27h578121922H346911H212H3
MFCD00771095
ZINC000002796190
ZINC000002796191
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