Vitas-M small molecule compound
methyl 4-(4-chloro-3-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK059785
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[O-])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 C18H17ClN2O5 MW 376.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClN2O5/c1-9-15(18(23)26-2)16(17-12(20-9)4-3-5-14(17)22)10-6-7-11(19)13(8-10)21(24)25/h6-8,16,20H,3-5H2,1-2H3InChIKey
RFBJOFULTMRWRX-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O))C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)(N+)(=O)(O))Cl)C(=O)CCC2
InChI=1SC18H17ClN2O5c1915(18(23)262)16(1712(209)43514(17)22)106711(19)13(810)21(24)25h681620H35H212H3
methyl4(4chloro3nitrophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(4chloro3nitrophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD02188042
STK059785
ZINC000001107208
ZINC000001107209
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