Vitas-M small molecule compound

ethyl (3E)-3-[2-(2,4-dinitrophenyl)hydrazinylidene]-2-methylbutanoate

Catalog ID
STK731254
SMILES CCOC(=O)C(/C(=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/C)C

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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 C13H16N4O6 MW 324.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N4O6/c1-4-23-13(18)8(2)9(3)14-15-11-6-5-10(16(19)20)7-12(11)17(21)22/h5-8,15H,4H2,1-3H3/b14-9+
InChIKey
UGCIJWMHXLSZSU-NTEUORMPSA-N
Synonyms

CCOC(=O)C(C(=NNc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))C)C
CCOC(=O)C(C)C(=NNC1=C(C=C(C=C1)(N+)(=O)(O))(N+)(=O)(O))C
ETHYL(3E)3((24DINITROPHENYL)HYDRAZINYLIDENE)2METHYLBUTANOATE
ethyl(3E)3(2(24dinitrophenyl)hydrazinylidene)2methylbutanoate
ETHYL(3E)4((24DINITROPHENYL)AMINO)23DIMETHYL4AZABUT3ENOATE
InChI=1SC13H16N4O6c142313(18)8(2)9(3)1415116510(16(19)20)712(11)17(21)22h5815H4H213H3b149+
MFCD00763986
ZINC000005325933
ZINC000005326210

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Available files

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