Vitas-M small molecule compound
propyl 7-(4-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK050188
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)[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/c1-4-13-35-27(31)24-16(2)28-22-14-19(17-7-11-21(34-3)12-8-17)15-23(30)26(22)25(24)18-5-9-20(10-6-18)29(32)33/h5-12,19,25,28H,4,13-15H2,1-3H3InChIKey
KFKLRBZMOXBICU-UHFFFAOYSA-NSynonyms
CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CC(C2)c1ccc(cc1)OC
CCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)(N+)(=O)(O))C(=O)CC(C2)C4=CC=C(C=C4)OC)C
InChI=1SC27H28N2O6c14133527(31)2416(2)28221419(1771121(343)12817)1523(30)26(22)25(24)185920(10618)29(32)33h512192528H41315H213H3
MFCD01825057
propyl7(4methoxyphenyl)2methyl4(4nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
propyl7(4methoxyphenyl)2methyl4(4nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
STK050188
ZINC000100553964
ZINC000100553981
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