Vitas-M small molecule compound
2-ethoxyethyl 7-(4-chlorophenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK000232
SMILES CCOCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)[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/c1-3-35-12-13-36-27(32)24-16(2)29-22-14-19(17-4-8-20(28)9-5-17)15-23(31)26(22)25(24)18-6-10-21(11-7-18)30(33)34/h4-11,19,25,29H,3,12-15H2,1-2H3InChIKey
UURWFLLNHCITPQ-UHFFFAOYSA-NSynonyms
2ethoxyethyl7(4chlorophenyl)2methyl4(4nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
2ethoxyethyl7(4chlorophenyl)2methyl4(4nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
CCOCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CC(C2)c1ccc(cc1)Cl
CCOCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)(N+)(=O)(O))C(=O)CC(C2)C4=CC=C(C=C4)Cl)C
InChI=1SC27H27ClN2O6c133512133627(32)2416(2)29221419(174820(28)9517)1523(31)26(22)25(24)1861021(11718)30(33)34h411192529H31215H212H3
MFCD02632897
STK000232
ZINC000002925323
ZINC000002925333
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