Vitas-M small molecule compound

diethyl (2,4-dinitrophenyl)propanedioate

Catalog ID
STK331799
SMILES CCOC(=O)C(c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=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 C13H14N2O8 MW 326.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N2O8/c1-3-22-12(16)11(13(17)23-4-2)9-6-5-8(14(18)19)7-10(9)15(20)21/h5-7,11H,3-4H2,1-2H3
InChIKey
YSRUGWMANDAALR-UHFFFAOYSA-N
Synonyms

2(24DINITROPHENYL)MALONICACIDDIETHYLESTER
CCOC(=O)C(C1=C(C=C(C=C1)(N+)(=O)(O))(N+)(=O)(O))C(=O)OCC
CCOC(=O)C(c1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))C(=O)OCC
DIETHYL(24DINITROPHENYL)MALONATE
diethyl(24dinitrophenyl)propanedioate
DIETHYL2(24DINITROPHENYL)PROPANEDIOATE
InChI=1SC13H14N2O8c132212(16)11(13(17)2342)9658(14(18)19)710(9)15(20)21h5711H34H212H3
MFCD09962600
ZINC000001678882
ZINC01678882
ZINC1678882

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Available files

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