Vitas-M small molecule compound

2,6-di-tert-butyl-5-hydroxynaphthalene-1,4-dione

Catalog ID
STL325032
SMILES O=C1c2ccc(c(c2C(=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 C18H22O3 MW 286.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22O3/c1-17(2,3)11-8-7-10-14(16(11)21)13(19)9-12(15(10)20)18(4,5)6/h7-9,21H,1-6H3
InChIKey
CRKJMNCTEBBOHJ-UHFFFAOYSA-N
Synonyms
371936-51-5
26ditertbutyl5hydroxynaphthalene14dione
371936515
CC(C)(C)C1=C(C2=C(C=C1)C(=O)C(=CC2=O)C(C)(C)C)O
InChI=1SC18H22O3c117(23)11871014(16(11)21)13(19)912(15(10)20)18(45)6h7921H16H3
MFCD01854099
ZINC000000197843
ZINC00197843
ZINC197843

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Available files

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