Vitas-M small molecule compound

2-(4-butylphenyl)cyclohexa-2,5-diene-1,4-dione

Catalog ID
STK337802
SMILES CCCCc1ccc(cc1)C1=CC(=O)C=CC1=O

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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 C16H16O2 MW 240.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16O2/c1-2-3-4-12-5-7-13(8-6-12)15-11-14(17)9-10-16(15)18/h5-11H,2-4H2,1H3
InChIKey
ADAKHPZSQYIATR-UHFFFAOYSA-N
Synonyms
154038-88-7
154038887
2(4butylphenyl)cyclohexa25diene14dione
4butyl(11biphenyl)25dione
CCCCC1=CC=C(C=C1)C2=CC(=O)C=CC2=O
InChI=1SC16H16O2c1234125713(8612)151114(17)91016(15)18h511H24H21H3
MFCD03828266
ZINC000002424324
ZINC2424324

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Available files

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