Vitas-M small molecule compound
1-methyl-3-[2-(3-nitrophenyl)-2-oxoethyl]-1H-imidazol-3-ium
Catalog ID
STK004589
SMILES Cn1cc[n+](c1)CC(=O)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 C12H12N3O3 MW 246.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12N3O3/c1-13-5-6-14(9-13)8-12(16)10-3-2-4-11(7-10)15(17)18/h2-7,9H,8H2,1H3/q+1InChIKey
XCICCCOCKLIAHK-UHFFFAOYSA-NSynonyms
1METHYL3(2(3NITROPHENYL)2OXOETHYL)1HIMIDAZOL3IUM
2(3METHYLIMIDAZOL3IUM1YL)1(3NITROPHENYL)ETHANONE
C(N+)1=CN(C=C1)CC(=O)C2=CC(=CC=C2)(N+)(=O)(O)
Cn1cc(n+)(c1)CC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC12H12N3O3c1135614(913)812(16)1032411(710)15(17)18h279H8H21H3q+1
MFCD09267133
STK004589
ZINC000004549901
ZINC04549901
ZINC4549901
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