Vitas-M small molecule compound
methyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK090001
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[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 C18H18N2O6 MW 358.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O6/c1-9-15(18(23)26-2)16(17-11(19-9)4-3-5-14(17)22)10-6-7-13(21)12(8-10)20(24)25/h6-8,16,19,21H,3-5H2,1-2H3InChIKey
ULRZZRMGXUQMJV-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)O)(N+)(=O)(O))C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)(N+)(=O)(O))O)C(=O)CCC2
InChI=1SC18H18N2O6c1915(18(23)262)16(1711(199)43514(17)22)106713(21)12(810)20(24)25h68161921H35H212H3
methyl4(4hydroxy3nitrophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(4hydroxy3nitrophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD00619467
STK090001
ZINC000100435227
ZINC000100435232
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.