Vitas-M small molecule compound
2-amino-3-[2-(4-bromophenyl)-2-oxoethyl]-5-(3-chlorophenyl)-1-methyl-1H-imidazol-3-ium
Catalog ID
STK117537
SMILES Brc1ccc(cc1)C(=O)C[n+]1cc(n(c1N)C)c1cccc(c1)Cl
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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 C18H16BrClN3O MW 405.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15BrClN3O/c1-22-16(13-3-2-4-15(20)9-13)10-23(18(22)21)11-17(24)12-5-7-14(19)8-6-12/h2-10,21H,11H2,1H3/p+1InChIKey
LXNSUQNMKSUCED-UHFFFAOYSA-OSynonyms
2(2AMINO4(3CHLOROPHENYL)3METHYLIMIDAZOL1IUM1YL)1(4BROMOPHENYL)ETHANONE
2AMINO3(2(4BROMOPHENYL)2OXOETHYL)5(3CHLOROPHENYL)1METHYL1HIMIDAZOL3IUM
Brc1ccc(cc1)C(=O)C(n+)1cc(n(c1N)C)c1cccc(c1)Cl
CN1C(=C(N+)(=C1N)CC(=O)C2=CC=C(C=C2)Br)C3=CC(=CC=C3)Cl
InChI=1SC18H15BrClN3Oc12216(1332415(20)913)1023(18(22)21)1117(24)125714(19)8612h21021H11H21H3p+1
MFCD04369624
ZINC000334157564
ZINC04691033
ZINC4691033
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