Vitas-M small molecule compound
3-[2-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-oxoethyl]-1-methyl-1H-imidazol-3-ium
Catalog ID
STK057146
SMILES 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 C20H29N2O2 MW 329.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N2O2/c1-19(2,3)15-10-14(11-16(18(15)24)20(4,5)6)17(23)12-22-9-8-21(7)13-22/h8-11,13H,12H2,1-7H3/p+1InChIKey
ZNEPDDZHZRTQDE-UHFFFAOYSA-OSynonyms
1(35DITERTBUTYL4HYDROXYPHENYL)2(3METHYLIMIDAZOL3IUM1YL)ETHANONE
3(2(35DITERTBUTYL4HYDROXYPHENYL)2OXOETHYL)1METHYL1HIMIDAZOL3IUM
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CN2C=C(N+)(=C2)C
Cn1cc(n+)(c1)CC(=O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
InChI=1SC20H28N2O2c119(23)151014(1116(18(15)24)20(45)6)17(23)12229821(7)1322h81113H12H217H3p+1
MFCD00386310
STK057146
ZINC000018115383
ZINC18115383
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