Vitas-M small molecule compound

3-bromo-5-(1H-imidazol-1-yl)-1-methyl-1H-1,2,4-triazole

Catalog ID
STL146867
SMILES Brc1nn(c(n1)n1cncc1)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 C6H6BrN5 MW 228.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C6H6BrN5/c1-11-6(9-5(7)10-11)12-3-2-8-4-12/h2-4H,1H3
InChIKey
KUDSSFWTWYPIIG-UHFFFAOYSA-N
Synonyms
1279219-58-7
1279219587
3bromo5(1Himidazol1yl)1methyl1H124triazole
3bromo5imidazol1yl1methyl124triazole
CN1C(=NC(=N1)Br)N2C=CN=C2
InChI=1SC6H6BrN5c1116(95(7)1011)12328412h24H1H3
MFCD18783067
ZINC000061714991
ZINC61714991

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Available files

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