Vitas-M small molecule compound
3-[2-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-oxoethyl]-1-ethenyl-1H-imidazol-3-ium
Catalog ID
STK009895
SMILES C=Cn1cc[n+](c1)CC(=O)c1cc(c(c(c1)C(C)(C)C)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 C21H29N2O2 MW 341.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N2O2/c1-8-22-9-10-23(14-22)13-18(24)15-11-16(20(2,3)4)19(25)17(12-15)21(5,6)7/h8-12,14H,1,13H2,2-7H3/p+1InChIKey
KQKHALYBKNSXNT-UHFFFAOYSA-OSynonyms
1(35DITERTBUTYL4HYDROXYPHENYL)2(3ETHENYLIMIDAZOL1IUM1YL)ETHANONE
3(2(35DITERTBUTYL4HYDROXYPHENYL)2OXOETHYL)1ETHENYL1HIMIDAZOL3IUM
C=Cn1cc(n+)(c1)CC(=O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C(N+)2=CN(C=C2)C=C
InChI=1SC21H28N2O2c182291023(1422)1318(24)151116(20(23)4)19(25)17(1215)21(56)7h81214H113H227H3p+1
MFCD09267139
STK009895
ZINC000004551091
ZINC04551091
ZINC4551091
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