Vitas-M small molecule compound
1-ethenyl-3-[2-(4-nitrophenyl)-2-oxoethyl]-1H-imidazol-3-ium
Catalog ID
STK083362
SMILES C=Cn1cc[n+](c1)CC(=O)c1ccc(cc1)[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 C13H12N3O3 MW 258.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N3O3/c1-2-14-7-8-15(10-14)9-13(17)11-3-5-12(6-4-11)16(18)19/h2-8,10H,1,9H2/q+1InChIKey
GXWQFGJGUDLCNO-UHFFFAOYSA-NSynonyms
1ETHENYL3(2(4NITROPHENYL)2OXOETHYL)1HIMIDAZOL3IUM
2(3ETHENYLIMIDAZOL1IUM1YL)1(4NITROPHENYL)ETHANONE
C=CN1C=C(N+)(=C1)CC(=O)C2=CC=C(C=C2)(N+)(=O)(O)
C=Cn1cc(n+)(c1)CC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC13H12N3O3c12147815(1014)913(17)113512(6411)16(18)19h2810H19H2q+1
MFCD09267215
STK083362
ZINC000004672251
ZINC04672251
ZINC4672251
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