Vitas-M small molecule compound
5-bromo-1-(but-2-yn-1-yl)-3-nitro-1H-1,2,4-triazole
Catalog ID
STK547699
SMILES [O-][N+](=O)c1nn(c(n1)Br)CC#CC
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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 C6H5BrN4O2 MW 245.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C6H5BrN4O2/c1-2-3-4-10-5(7)8-6(9-10)11(12)13/h4H2,1H3InChIKey
DAGPJSJPVNQQLE-UHFFFAOYSA-NSynonyms
667901-22-6(O)(N+)(=O)c1nn(c(n1)Br)CC#CC
5bromo1(but2yn1yl)3nitro1H124triazole
5BROMO1BUT2YNYL3NITRO124TRIAZOLE
5BROMO1BUT2YNYL3NITRO1H124TRIAZOLE
667901226
CC#CCN1C(=NC(=N1)(N+)(=O)(O))Br
InChI=1SC6H5BrN4O2c1234105(7)86(910)11(12)13h4H21H3
MFCD03668482
ZINC000002196501
ZINC02196501
ZINC2196501
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