Vitas-M small molecule compound
2-amino-3-[2-(3-bromophenyl)-2-oxoethyl]-5-(3,4-dimethylphenyl)-1-methyl-1H-imidazol-3-ium
Catalog ID
STK130570
SMILES Brc1cccc(c1)C(=O)C[n+]1cc(n(c1N)C)c1ccc(c(c1)C)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 C20H21BrN3O MW 399.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrN3O/c1-13-7-8-15(9-14(13)2)18-11-24(20(22)23(18)3)12-19(25)16-5-4-6-17(21)10-16/h4-11,22H,12H2,1-3H3/p+1InChIKey
UULALZZUXKHHCS-UHFFFAOYSA-OSynonyms
2(2AMINO4(34DIMETHYLPHENYL)3METHYLIMIDAZOL1IUM1YL)1(3BROMOPHENYL)ETHANONE
2AMINO3(2(3BROMOPHENYL)2OXOETHYL)5(34DIMETHYLPHENYL)1METHYL1HIMIDAZOL3IUM
Brc1cccc(c1)C(=O)C(n+)1cc(n(c1N)C)c1ccc(c(c1)C)C
CC1=C(C=C(C=C1)C2=C(N+)(=C(N2C)N)CC(=O)C3=CC(=CC=C3)Br)C
InChI=1SC20H20BrN3Oc1137815(914(13)2)181124(20(22)23(18)3)1219(25)1654617(21)1016h41122H12H213H3p+1
MFCD09267498
ZINC000334157621
ZINC04700816
ZINC4700816
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