Vitas-M small molecule compound
benzyl 7-(furan-2-yl)-2-methyl-4-(4-methyl-3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK406084
SMILES O=C(C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[O-])C)C(=O)CC(C2)c1ccco1)OCc1ccccc1
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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 C29H26N2O6 MW 498.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O6/c1-17-10-11-20(14-23(17)31(34)35)27-26(29(33)37-16-19-7-4-3-5-8-19)18(2)30-22-13-21(15-24(32)28(22)27)25-9-6-12-36-25/h3-12,14,21,27,30H,13,15-16H2,1-2H3InChIKey
UCUQRCSFHUKVTB-UHFFFAOYSA-NSynonyms
benzyl7(furan2yl)2methyl4(4methyl3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
benzyl7(furan2yl)2methyl4(4methyl3nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CO4)NC(=C2C(=O)OCC5=CC=CC=C5)C)(N+)(=O)(O)
InChI=1SC29H26N2O6c117101120(1423(17)31(34)35)2726(29(33)3716197435819)18(2)30221321(1524(32)28(22)27)2596123625h31214212730H131516H212H3
MFCD04216019
O=C(C1=C(C)NC2=C(C1c1ccc(c(c1)(N+)(=O)(O))C)C(=O)CC(C2)c1ccco1)OCc1ccccc1
ZINC000016293847
ZINC000016293852
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