Vitas-M small molecule compound

bis(2-methylpropyl) 2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

Catalog ID
STL541345
SMILES CCOc1cc(ccc1O)C1C(C(=O)OCC(C)C)C(=O)CC(C1C(=O)OCC(C)C)(C)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 C25H36O8 MW 464.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H36O8/c1-7-31-19-10-16(8-9-17(19)26)20-21(23(28)32-12-14(2)3)18(27)11-25(6,30)22(20)24(29)33-13-15(4)5/h8-10,14-15,20-22,26,30H,7,11-13H2,1-6H3
InChIKey
LXGWMJCOSREDKC-UHFFFAOYSA-N
Synonyms
1005117-09-8
1005117098
3667545
bis(2methylpropyl)2(3ethoxy4hydroxyphenyl)4hydroxy4methyl6oxocyclohexane13dicarboxylate
DIISOBUTYL2(3ETHOXY4HYDROXYPHENYL)4HYDROXY4METHYL6OXO13CYCLOHEXANEDICARBOXYLATE
diisobutyl2(3ethoxy4hydroxyphenyl)4hydroxy4methyl6oxocyclohexane13dicarboxylate
InChI=1SC25H36O8c1731191016(8917(19)26)2021(23(28)321214(2)3)18(27)1125(630)22(20)24(29)331315(4)5h810141520222630H71113H216H3
MFCD03267627
ZINC000008438626
ZINC000252694542

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Available files

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