Vitas-M small molecule compound

2-amino-5-(3-bromophenyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium

Catalog ID
STK116997
SMILES COc1cccc(c1)C(=O)C[n+]1cc(n(c1N)C)c1cccc(c1)Br

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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 C19H19BrN3O2 MW 401.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18BrN3O2/c1-22-17(13-5-3-7-15(20)9-13)11-23(19(22)21)12-18(24)14-6-4-8-16(10-14)25-2/h3-11,21H,12H2,1-2H3/p+1
InChIKey
HCCGZWGNEWBUMT-UHFFFAOYSA-O
Synonyms

2(2AMINO4(3BROMOPHENYL)3METHYLIMIDAZOL1IUM1YL)1(3METHOXYPHENYL)ETHANONE
2AMINO5(3BROMOPHENYL)3(2(3METHOXYPHENYL)2OXOETHYL)1METHYL1HIMIDAZOL3IUM
CN1C(=C(N+)(=C1N)CC(=O)C2=CC(=CC=C2)OC)C3=CC(=CC=C3)Br
COc1cccc(c1)C(=O)C(n+)1cc(n(c1N)C)c1cccc(c1)Br
InChI=1SC19H18BrN3O2c12217(1353715(20)913)1123(19(22)21)1218(24)1464816(1014)252h31121H12H212H3p+1
MFCD09267388
ZINC000334157530
ZINC04690919
ZINC4690919

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Available files

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