Vitas-M small molecule compound
2-amino-1-(2-bromopropyl)-3-(2-methoxy-2-oxoethyl)-1H-benzimidazol-3-ium
Catalog ID
STL431424
SMILES COC(=O)C[n+]1c(N)n(c2c1cccc2)CC(Br)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 C13H17BrN3O2 MW 327.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16BrN3O2/c1-9(14)7-16-10-5-3-4-6-11(10)17(13(16)15)8-12(18)19-2/h3-6,9,15H,7-8H2,1-2H3/p+1InChIKey
QDTKGCWMXSFTRF-UHFFFAOYSA-OSynonyms
2amino1(2bromopropyl)3(2methoxy2oxoethyl)1Hbenzimidazol3ium
CC(CN1C2=CC=CC=C2(N+)(=C1N)CC(=O)OC)Br
COC(=O)C(n+)1c(N)n(c2c1cccc2)CC(Br)C
InChI=1SC13H16BrN3O2c19(14)71610534611(10)17(13(16)15)812(18)192h36915H78H212H3p+1
methyl2(2amino3(2bromopropyl)benzimidazol1ium1yl)acetate
ZINC000334160782
ZINC000334160783
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