Vitas-M small molecule compound
diethyl 2,2'-{(2-oxocyclohexane-1,3-diylidene)bis[(E)methylylidenebenzene-2,1-diyloxy]}diacetate
Catalog ID
STK958663
SMILES CCOC(=O)COc1ccccc1/C=C/1\CCC/C(=C\c2ccccc2OCC(=O)OCC)/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 C28H30O7 MW 478.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30O7/c1-3-32-26(29)18-34-24-14-7-5-10-20(24)16-22-12-9-13-23(28(22)31)17-21-11-6-8-15-25(21)35-19-27(30)33-4-2/h5-8,10-11,14-17H,3-4,9,12-13,18-19H2,1-2H3/b22-16+,23-17+InChIKey
WLXAAGBLLMOJOI-LKNRODPVSA-NSynonyms
CCOC(=O)COC1=CC=CC=C1C=C2CCCC(=CC3=CC=CC=C3OCC(=O)OCC)C2=O
CCOC(=O)COc1ccccc1C=C1CCCC(=Cc2ccccc2OCC(=O)OCC)C1=O
diethyl22((2oxocyclohexane13diylidene)bis((E)methylylidenebenzene21diyloxy))diacetate
ethyl2(2((E)((3E)3((2(2ethoxy2oxoethoxy)phenyl)methylidene)2oxocyclohexylidene)methyl)phenoxy)acetate
InChI=1SC28H30O7c133226(29)18342414751020(24)16221291323(28(22)31)172111681525(21)351927(30)3342h5810111417H34912131819H212H3b2216+2317+
MFCD02174558
ZINC000013915609
ZINC13915609
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