Vitas-M small molecule compound

2,2'-{[4-(pentyloxy)phenyl]methanediyl}bis(5,5-dimethylcyclohexane-1,3-dione)

Catalog ID
STK834899
SMILES CCCCCOc1ccc(cc1)C(C1C(=O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(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 C28H38O5 MW 454.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H38O5/c1-6-7-8-13-33-19-11-9-18(10-12-19)24(25-20(29)14-27(2,3)15-21(25)30)26-22(31)16-28(4,5)17-23(26)32/h9-12,24-26H,6-8,13-17H2,1-5H3
InChIKey
WXPRJXRTXTTYBH-UHFFFAOYSA-N
Synonyms
300390-67-4
2((44DIMETHYL26DIOXOCYCLOHEXYL)(4PENTOXYPHENYL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
22((4(pentyloxy)phenyl)methanediyl)bis(55dimethylcyclohexane13dione)
22((4(pentyloxy)phenyl)methylene)bis(55dimethylcyclohexane13dione)
CCCCCOC1=CC=C(C=C1)C(C2C(=O)CC(CC2=O)(C)C)C3C(=O)CC(CC3=O)(C)C
Registry IDs
MFCD00698893
ZINC000018028839
ZINC18028839

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Available files

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