Vitas-M small molecule compound
2-ethoxyethyl 2-methyl-4-(2-nitrophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK064050
SMILES CCOCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1[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)28-21-15-19(18-9-5-4-6-10-18)16-23(30)26(21)25(24)20-11-7-8-12-22(20)29(32)33/h4-12,19,25,28H,3,13-16H2,1-2H3InChIKey
JDCJIWUJHOJBOU-UHFFFAOYSA-NSynonyms
5726-93-22ethoxyethyl2methyl4(2nitrophenyl)5oxo7phenyl145678hexahydroquinoline3carboxylate
2ethoxyethyl2methyl4(2nitrophenyl)5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
5726932
CCOCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1(N+)(=O)(O))C(=O)CC(C2)c1ccccc1
CCOCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3(N+)(=O)(O))C(=O)CC(C2)C4=CC=CC=C4)C
InChI=1SC27H28N2O6c133413143527(31)2417(2)28211519(1895461018)1623(30)26(21)25(24)2011781222(20)29(32)33h412192528H31316H212H3
MFCD01823931
STK064050
ZINC000002758299
ZINC000002758302
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