Vitas-M small molecule compound

2,5-di-tert-butyl-3-hydroxycyclohexa-2,5-diene-1,4-dione

Catalog ID
STK751071
SMILES O=C1C=C(C(=O)C(=C1C(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 C14H20O3 MW 236.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H20O3/c1-13(2,3)8-7-9(15)10(14(4,5)6)12(17)11(8)16/h7,17H,1-6H3
InChIKey
OIBNNHWXRCJHCI-UHFFFAOYSA-N
Synonyms

25DITERTBUTYL3HYDROXYCYCLOHEXA25DIENE14DIONE
25ditertbutyl3hydroxycyclohexa25diene14dionecompoundwith2methylpropan2amine(11)
2HYDROXY36DITERTBUTYLPBENZOQUINONE
CC(C)(C)C1=CC(=O)C(=C(C1=O)O)C(C)(C)C
CC(N)(C)CO=C1C=C(C(=O)C(=C1C(C)(C)C)O)C(C)(C)C
InChI=1SC14H20O3c113(23)879(15)10(14(45)6)12(17)11(8)16h717H16H3
MFCD00441924
ZINC000004786286
ZINC4786286

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Available files

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