Vitas-M small molecule compound

butoxy-N-(3,5-di-tert-butyl-4-hydroxybenzyl)-N,N-dimethylmethanaminium

Catalog ID
STK081967
SMILES CCCCOC[N+](Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(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 C22H40NO2 MW 350.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H39NO2/c1-10-11-12-25-16-23(8,9)15-17-13-18(21(2,3)4)20(24)19(14-17)22(5,6)7/h13-14H,10-12,15-16H2,1-9H3/p+1
InChIKey
YUKOXIKLYMRDAH-UHFFFAOYSA-O
Synonyms

BUTOXYMETHYL((35DITERTBUTYL4HYDROXYPHENYL)METHYL)DIMETHYLAZANIUM
BUTOXYN(35DITERTBUTYL4HYDROXYBENZYL)NNDIMETHYLMETHANAMINIUM
CCCCOC(N+)(C)(C)CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
CCCCOC(N+)(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)(C)C
InChI=1SC22H39NO2c1101112251623(89)15171318(21(23)4)20(24)19(1417)22(56)7h1314H10121516H219H3p+1
MFCD03032686
STK081967
ZINC000003095061
ZINC03095061
ZINC3095061

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Available files

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