Vitas-M small molecule compound

1-methyl-3-(2-oxo-2-phenylethyl)-1H-imidazol-3-ium

Catalog ID
STK028596
SMILES Cn1cc[n+](c1)CC(=O)c1ccccc1

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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 C12H13N2O MW 201.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N2O/c1-13-7-8-14(10-13)9-12(15)11-5-3-2-4-6-11/h2-8,10H,9H2,1H3/q+1
InChIKey
YDOLSEINKBVALM-UHFFFAOYSA-N
Synonyms

1METHYL3(2OXO2PHENYLETHYL)1HIMIDAZOL3IUM
1METHYL3(2OXO2PHENYLETHYL)3HIMIDAZOL1IUM
1METHYL3PHENACYL1HIMIDAZOLE3IUM
2(3METHYLIMIDAZOL1IUM1YL)1PHENYLETHANONE
2(3METHYLIMIDAZOL3IUM1YL)1PHENYLETHANONE
C(N+)1=CN(C=C1)CC(=O)C2=CC=CC=C2
Cn1cc(n+)(c1)CC(=O)c1ccccc1
InChI=1SC12H13N2Oc1137814(1013)912(15)115324611h2810H9H21H3q+1
MFCD01326603
STK028596
ZINC000013940766
ZINC13940766

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.