Vitas-M small molecule compound
ethyl 4-{4-[(4-chlorobenzyl)oxy]-3-nitrophenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL173095
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[O-])OCc1ccc(cc1)Cl)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 C26H25ClN2O6 MW 496.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25ClN2O6/c1-3-34-26(31)23-15(2)28-19-5-4-6-21(30)25(19)24(23)17-9-12-22(20(13-17)29(32)33)35-14-16-7-10-18(27)11-8-16/h7-13,24,28H,3-6,14H2,1-2H3InChIKey
UKQPJULXLBCQCY-UHFFFAOYSA-NSynonyms
397875-28-4397875284
CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)(N+)(=O)(O))OCc1ccc(cc1)Cl)C(=O)CCC2
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OCC4=CC=C(C=C4)Cl)(N+)(=O)(O))C(=O)CCC2)C
ethyl4(4((4chlorobenzyl)oxy)3nitrophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(4((4chlorophenyl)methoxy)3nitrophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC26H25ClN2O6c133426(31)2315(2)281954621(30)25(19)24(23)1791222(20(1317)29(32)33)35141671018(27)11816h7132428H3614H212H3
MFCD02175007
ZINC000001001878
ZINC000001001879
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