Vitas-M small molecule compound

3-(3,3-dimethyl-2-oxobutyl)-1-methyl-1H-imidazol-3-ium

Catalog ID
STK054525
SMILES Cn1cc[n+](c1)CC(=O)C(C)(C)C

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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 C10H17N2O MW 181.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H17N2O/c1-10(2,3)9(13)7-12-6-5-11(4)8-12/h5-6,8H,7H2,1-4H3/q+1
InChIKey
GKXNNPILZHVIMC-UHFFFAOYSA-N
Synonyms

1(33DIMETHYL2OXOBUTYL)3METHYL3HIMIDAZOL1IUM
3(33DIMETHYL2OXOBUTYL)1METHYL1HIMIDAZOL3IUM
33DIMETHYL1(3METHYLIMIDAZOL3IUM1YL)BUTAN2ONE
CC(C)(C)C(=O)CN1C=C(N+)(=C1)C
Cn1cc(n+)(c1)CC(=O)C(C)(C)C
InChI=1SC10H17N2Oc110(23)9(13)7126511(4)812h568H7H214H3q+1
MFCD00457482
STK054525
ZINC000003163283
ZINC03163283
ZINC3163283

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Available files

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