Vitas-M small molecule compound

4,7-di-tert-butyl-2-phenyl-1,3-benzodioxole

Catalog ID
STK524704
SMILES CC(c1ccc(c2c1OC(O2)c1ccccc1)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 C21H26O2 MW 310.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26O2/c1-20(2,3)15-12-13-16(21(4,5)6)18-17(15)22-19(23-18)14-10-8-7-9-11-14/h7-13,19H,1-6H3
InChIKey
PXSBQFKSGMTHOZ-UHFFFAOYSA-N
Synonyms
51786-62-0
13BENZODIOXOLE47BIS(11DIMETHYLETHYL)2PHENYL
2PHENYL47DITERTBUTYL13BENZODIOXOLE
47ditertbutyl2phenyl13benzodioxole
47ditertbutyl2phenylbenzo(d)(13)dioxole
51786620
CC(C)(C)C1=C2C(=C(C=C1)C(C)(C)C)OC(O2)C3=CC=CC=C3
InChI=1SC21H26O2c120(23)15121316(21(45)6)1817(15)2219(2318)14108791114h71319H16H3
MFCD00515107
ZINC000002275410
ZINC02275410
ZINC2275410

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Available files

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