Vitas-M small molecule compound

diethyl (3Z)-3-[2-(2,4-dinitrophenyl)hydrazinylidene]-4-oxohexanedioate

Catalog ID
STK693926
SMILES CCOC(=O)C/C(=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/C(=O)CC(=O)OCC

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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 C16H18N4O9 MW 410.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O9/c1-3-28-15(22)8-12(14(21)9-16(23)29-4-2)18-17-11-6-5-10(19(24)25)7-13(11)20(26)27/h5-7,17H,3-4,8-9H2,1-2H3/b18-12-
InChIKey
CYFGXJOITYQGDL-PDGQHHTCSA-N
Synonyms

CCOC(=O)CC(=NNC1=C(C=C(C=C1)(N+)(=O)(O))(N+)(=O)(O))C(=O)CC(=O)OCC
CCOC(=O)CC(=NNc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))C(=O)CC(=O)OCC
diethyl(3Z)3((24dinitrophenyl)hydrazinylidene)4oxohexanedioate
diethyl(3Z)3(2(24dinitrophenyl)hydrazinylidene)4oxohexanedioate
InChI=1SC16H18N4O9c132815(22)812(14(21)916(23)2942)1817116510(19(24)25)713(11)20(26)27h5717H3489H212H3b1812
MFCD12034154
ZINC000015109353
ZINC102782816

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Available files

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