Vitas-M small molecule compound
propyl 7-(4-methoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK000736
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)c1ccc(cc1)OC
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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 C27H28N2O6 MW 476.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O6/c1-4-12-35-27(31)24-16(2)28-22-14-19(17-8-10-21(34-3)11-9-17)15-23(30)26(22)25(24)18-6-5-7-20(13-18)29(32)33/h5-11,13,19,25,28H,4,12,14-15H2,1-3H3InChIKey
IBMKAPQNSFYRKU-UHFFFAOYSA-NSynonyms
CCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)c1ccc(cc1)OC
CCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)(N+)(=O)(O))C(=O)CC(C2)C4=CC=C(C=C4)OC)C
InChI=1SC27H28N2O6c14123527(31)2416(2)28221419(1781021(343)11917)1523(30)26(22)25(24)1865720(1318)29(32)33h51113192528H4121415H213H3
MFCD02632876
propyl7(4methoxyphenyl)2methyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
propyl7(4methoxyphenyl)2methyl4(3nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
STK000736
ZINC000002923083
ZINC000002923090
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