Vitas-M small molecule compound
2-amino-1-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]-5-(3-nitrophenyl)-1H-imidazol-3-ium
Catalog ID
STK117261
SMILES Cc1ccc(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 C19H19N4O3 MW 351.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O3/c1-13-6-8-14(9-7-13)18(24)12-22-11-17(21(2)19(22)20)15-4-3-5-16(10-15)23(25)26/h3-11,20H,12H2,1-2H3/p+1InChIKey
SPJZGWPXGHPHAK-UHFFFAOYSA-OSynonyms
2(2AMINO3METHYL4(3NITROPHENYL)IMIDAZOL1IUM1YL)1(4METHYLPHENYL)ETHANONE
2AMINO1METHYL3(2(4METHYLPHENYL)2OXOETHYL)5(3NITROPHENYL)1HIMIDAZOL3IUM
CC1=CC=C(C=C1)C(=O)C(N+)2=C(N(C(=C2)C3=CC(=CC=C3)(N+)(=O)(O))C)N
Cc1ccc(cc1)C(=O)C(n+)1cc(n(c1N)C)c1cccc(c1)(N+)(=O)(O)
InChI=1SC19H18N4O3c1136814(9713)18(24)12221117(21(2)19(22)20)1543516(1015)23(25)26h31120H12H212H3p+1
MFCD09267394
ZINC000334157613
ZINC04690973
ZINC4690973
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