Vitas-M small molecule compound

1,1'-bis{2-hydroxy-5-methyl-5-[(2-methylpentan-2-yl)peroxy]hex-3-yn-2-yl}ferrocene

Catalog ID
STL147083
SMILES CCCC(OOC(C#CC(C1=CC(C=C1)[Fe]C1C=CC(=C1)C(C#CC(OOC(CCC)(C)C)(C)C)(O)C)(O)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 C36H54FeO6 MW 638.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/2C18H27O3.Fe/c2*1-7-12-16(2,3)20-21-17(4,5)13-14-18(6,19)15-10-8-9-11-15;/h2*8-11,19H,7,12H2,1-6H3;
InChIKey
QFSJVRBUWJCCCF-UHFFFAOYSA-N
Synonyms

11bis(2hydroxy5methyl5((2methylpentan2yl)peroxy)hex3yn2yl)ferrocene
CCCC(OOC(C#CC(C1=CC(C=C1)(Fe)C1C=CC(=C1)C(C#CC(OOC(CCC)(C)C)(C)C)(O)C)(O)C)(C)C)(C)C
MFCD01953383

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Available files

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