Vitas-M small molecule compound
2-amino-3-[2-(4-fluorophenyl)-2-oxoethyl]-1-methyl-5-(3-nitrophenyl)-1H-imidazol-3-ium
Catalog ID
STK117584
SMILES Fc1ccc(cc1)C(=O)C[n+]1cc(n(c1N)C)c1cccc(c1)[N+](=O)[O-]
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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 C18H16FN4O3 MW 355.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15FN4O3/c1-21-16(13-3-2-4-15(9-13)23(25)26)10-22(18(21)20)11-17(24)12-5-7-14(19)8-6-12/h2-10,20H,11H2,1H3/p+1InChIKey
BNNHCHUVAXGRBK-UHFFFAOYSA-OSynonyms
2(2AMINO3METHYL4(3NITROPHENYL)IMIDAZOL1IUM1YL)1(4FLUOROPHENYL)ETHANONE
2AMINO3(2(4FLUOROPHENYL)2OXOETHYL)1METHYL5(3NITROPHENYL)1HIMIDAZOL3IUM
CN1C(=C(N+)(=C1N)CC(=O)C2=CC=C(C=C2)F)C3=CC(=CC=C3)(N+)(=O)(O)
Fc1ccc(cc1)C(=O)C(n+)1cc(n(c1N)C)c1cccc(c1)(N+)(=O)(O)
InChI=1SC18H15FN4O3c12116(1332415(913)23(25)26)1022(18(21)20)1117(24)125714(19)8612h21020H11H21H3p+1
MFCD09267402
ZINC000334157490
ZINC04691040
ZINC4691040
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