Vitas-M small molecule compound

2-ethoxyethyl 7-(4-chlorophenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK034564
SMILES CCOCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)c1ccc(cc1)Cl

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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 C27H27ClN2O6 MW 510.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27ClN2O6/c1-3-35-11-12-36-27(32)24-16(2)29-22-14-19(17-7-9-20(28)10-8-17)15-23(31)26(22)25(24)18-5-4-6-21(13-18)30(33)34/h4-10,13,19,25,29H,3,11-12,14-15H2,1-2H3
InChIKey
MXRKTSQDXIMWGM-UHFFFAOYSA-N
Synonyms

2ethoxyethyl7(4chlorophenyl)2methyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
2ethoxyethyl7(4chlorophenyl)2methyl4(3nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
CCOCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)c1ccc(cc1)Cl
CCOCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)(N+)(=O)(O))C(=O)CC(C2)C4=CC=C(C=C4)Cl)C
InChI=1SC27H27ClN2O6c133511123627(32)2416(2)29221419(177920(28)10817)1523(31)26(22)25(24)1854621(1318)30(33)34h41013192529H311121415H212H3
MFCD02632920
STK034564
ZINC000002771956
ZINC000002771959

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.