Vitas-M small molecule compound

diethyl 4-{4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl}-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

Catalog ID
STK316056
SMILES CCOC(=O)C1C(CC2=C(C1=O)C(c1ccc(c(c1)COc1ccccc1[N+](=O)[O-])OC)C(=C(N2)C)C(=O)OCC)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 C36H36N2O9 MW 640.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H36N2O9/c1-5-45-35(40)30-21(3)37-26-19-25(22-12-8-7-9-13-22)32(36(41)46-6-2)34(39)33(26)31(30)23-16-17-28(44-4)24(18-23)20-47-29-15-11-10-14-27(29)38(42)43/h7-18,25,31-32,37H,5-6,19-20H2,1-4H3
InChIKey
YIVKNYGSDRLGHB-UHFFFAOYSA-N
Synonyms
490013-47-3
490013473
CCOC(=O)C1C(CC2=C(C1=O)C(C(=C(N2)C)C(=O)OCC)C3=CC(=C(C=C3)OC)COC4=CC=CC=C4(N+)(=O)(O))C5=CC=CC=C5
CCOC(=O)C1C(CC2=C(C1=O)C(c1ccc(c(c1)COc1ccccc1(N+)(=O)(O))OC)C(=C(N2)C)C(=O)OCC)c1ccccc1
diethyl4(4methoxy3((2nitrophenoxy)methyl)phenyl)2methyl5oxo7phenyl145678hexahydroquinoline36dicarboxylate
diethyl4(4methoxy3((2nitrophenoxy)methyl)phenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline36dicarboxylate
InChI=1SC36H36N2O9c154535(40)3021(3)37261925(22128791322)32(36(41)4662)34(39)33(26)31(30)23161728(444)24(1823)2047291511101427(29)38(42)43h71825313237H561920H214H3
MFCD02606006
ZINC000008450282
ZINC000150625509

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.