Vitas-M small molecule compound
4-(3,5-dinitro-1H-1,2,4-triazol-1-yl)butan-2-one
Catalog ID
STK683004
SMILES CC(=O)CCn1nc(nc1[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 C6H7N5O5 MW 229.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C6H7N5O5/c1-4(12)2-3-9-6(11(15)16)7-5(8-9)10(13)14/h2-3H2,1H3InChIKey
NYTIEZKKTYJYDU-UHFFFAOYSA-NSynonyms
60728-90-72BUTANONE4(35DINITRO1H124TRIAZOL1YL)
4(35DINITRO124TRIAZOL1YL)BUTAN2ONE
4(35DINITRO124TRIAZOLYL)BUTAN2ONE
4(35dinitro1H124triazol1yl)butan2one
60728907
CC(=O)CCN1C(=NC(=N1)(N+)(=O)(O))(N+)(=O)(O)
CC(=O)CCn1nc(nc1(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC6H7N5O5c14(12)2396(11(15)16)75(89)10(13)14h23H21H3
MFCD04061773
ZINC000004653980
ZINC04653980
ZINC4653980
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