Vitas-M small molecule compound
1-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-3,3-dimethylbutan-2-one
Catalog ID
STK208760
SMILES O=C(C(C)(C)C)Cn1nc(nc1Br)[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 C8H11BrN4O3 MW 291.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H11BrN4O3/c1-8(2,3)5(14)4-12-6(9)10-7(11-12)13(15)16/h4H2,1-3H3InChIKey
KWZPMPVXKMRBOZ-UHFFFAOYSA-NSynonyms
667901-23-71(5BROMO3NITRO124TRIAZOL1YL)33DIMETHYLBUTAN2ONE
1(5BROMO3NITRO1H124TRIAZOL1YL)33DIMETHYLBUTAN2ONE
667901237
CC(C)(C)C(=O)CN1C(=NC(=N1)(N+)(=O)(O))Br
InChI=1SC8H11BrN4O3c18(23)5(14)4126(9)107(1112)13(15)16h4H213H3
MFCD03665550
O=C(C(C)(C)C)Cn1nc(nc1Br)(N+)(=O)(O)
ZINC000000536196
ZINC00536196
ZINC536196
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