Vitas-M small molecule compound

1-(4,5-dinitro-1H-imidazol-1-yl)propan-2-one

Catalog ID
STK343684
SMILES CC(=O)Cn1cnc(c1[N+](=O)[O-])[N+](=O)[O-]

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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 C6H6N4O5 MW 214.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C6H6N4O5/c1-4(11)2-8-3-7-5(9(12)13)6(8)10(14)15/h3H,2H2,1H3
InChIKey
DZTOCWZGMIQRRX-UHFFFAOYSA-N
Synonyms
131394-04-2
1(45DINITRO1HIMIDAZOL1YL)ACETONE
1(45DINITRO1HIMIDAZOL1YL)PROPAN2ONE
1(45DINITROIMIDAZOL1YL)PROPAN2ONE
1(45DINITROIMIDAZOLYL)ACETONE
131394042
CC(=O)CN1C=NC(=C1(N+)(=O)(O))(N+)(=O)(O)
CC(=O)Cn1cnc(c1(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC6H6N4O5c14(11)28375(9(12)13)6(8)10(14)15h3H2H21H3
MFCD01445064
ZINC000004343644
ZINC04343644
ZINC4343644

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Available files

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