Vitas-M small molecule compound
2-ethoxyethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK050488
SMILES CCOCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CC(C2)c1ccccc1
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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/c1-3-34-13-14-35-27(31)24-17(2)28-22-15-20(18-7-5-4-6-8-18)16-23(30)26(22)25(24)19-9-11-21(12-10-19)29(32)33/h4-12,20,25,28H,3,13-16H2,1-2H3InChIKey
ULDOTCGJIJWPDP-UHFFFAOYSA-NSynonyms
2ethoxyethyl2methyl4(4nitrophenyl)5oxo7phenyl145678hexahydroquinoline3carboxylate
2ethoxyethyl2methyl4(4nitrophenyl)5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CCOCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CC(C2)c1ccccc1
CCOCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)(N+)(=O)(O))C(=O)CC(C2)C4=CC=CC=C4)C
InChI=1SC27H28N2O6c133413143527(31)2417(2)28221520(187546818)1623(30)26(22)25(24)1991121(121019)29(32)33h412202528H31316H212H3
MFCD02632885
STK050488
ZINC000002772057
ZINC000002772060
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