Vitas-M small molecule compound
(2E,6E)-2,6-bis{3-[(2-fluorophenoxy)methyl]-4-methoxybenzylidene}cyclohexanone
Catalog ID
STK723159
SMILES COc1ccc(cc1COc1ccccc1F)/C=C/1\CCC/C(=C\c2ccc(c(c2)COc2ccccc2F)OC)/C1=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 C36H32F2O5 MW 582.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H32F2O5/c1-40-32-16-14-24(20-28(32)22-42-34-12-5-3-10-30(34)37)18-26-8-7-9-27(36(26)39)19-25-15-17-33(41-2)29(21-25)23-43-35-13-6-4-11-31(35)38/h3-6,10-21H,7-9,22-23H2,1-2H3/b26-18+,27-19+InChIKey
VEARTRHSXOCFOY-BFNWXZRRSA-NSynonyms
(2E6E)26bis((3((2fluorophenoxy)methyl)4methoxyphenyl)methylidene)cyclohexan1one
(2E6E)26bis(3((2fluorophenoxy)methyl)4methoxybenzylidene)cyclohexanone
(2Z6E)26bis(3((2fluorophenoxy)methyl)4methoxybenzylidene)cyclohexanone
COC1=C(C=C(C=C1)C=C2CCCC(=CC3=CC(=C(C=C3)OC)COC4=CC=CC=C4F)C2=O)COC5=CC=CC=C5F
COc1ccc(cc1COc1ccccc1F)C=C1CCCC(=Cc2ccc(c(c2)COc2ccccc2F)OC)C1=O
InChI=1SC36H32F2O5c14032161424(2028(32)22423412531030(34)37)182687927(36(26)39)1925151733(412)29(2125)23433513641131(35)38h361021H792223H212H3b2618+2719+
MFCD03561330
ZINC000097968542
ZINC97968542
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