Vitas-M small molecule compound

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

Catalog ID
STK772169
SMILES CC(COC(=O)C1C(=O)CC(C(C1c1ccc(cc1)F)C(=O)OCC(C)C)(C)O)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 C23H31FO6 MW 422.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31FO6/c1-13(2)11-29-21(26)19-17(25)10-23(5,28)20(22(27)30-12-14(3)4)18(19)15-6-8-16(24)9-7-15/h6-9,13-14,18-20,28H,10-12H2,1-5H3
InChIKey
XPJNTNUMQIGRLO-UHFFFAOYSA-N
Synonyms
1005036-36-1
1005036361
bis(2methylpropyl)2(4fluorophenyl)4hydroxy4methyl6oxocyclohexane13dicarboxylate
CC(C)COC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC(C)C)C2=CC=C(C=C2)F
DIISOBUTYL2(4FLUOROPHENYL)4HYDROXY4METHYL6OXO13CYCLOHEXANEDICARBOXYLATE
diisobutyl2(4fluorophenyl)4hydroxy4methyl6oxocyclohexane13dicarboxylate
InChI=1SC23H31FO6c113(2)112921(26)1917(25)1023(528)20(22(27)301214(3)4)18(19)156816(24)9715h691314182028H1012H215H3
MFCD03303073
ZINC000004127226
ZINC000013617404

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Available files

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