Vitas-M small molecule compound
bis(2-methylpropyl) 2-(4-tert-butylphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Catalog ID
STK855180
SMILES CC(COC(=O)C1C(=O)CC(C(C1c1ccc(cc1)C(C)(C)C)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 C27H40O6 MW 460.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H40O6/c1-16(2)14-32-24(29)22-20(28)13-27(8,31)23(25(30)33-15-17(3)4)21(22)18-9-11-19(12-10-18)26(5,6)7/h9-12,16-17,21-23,31H,13-15H2,1-8H3InChIKey
ICIVDNVOXDDQQT-UHFFFAOYSA-NSynonyms
1005106-18-21005106182
bis(2methylpropyl)2(4tertbutylphenyl)4hydroxy4methyl6oxocyclohexane13dicarboxylate
CC(C)COC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC(C)C)C2=CC=C(C=C2)C(C)(C)C
diisobutyl2(4(tertbutyl)phenyl)4hydroxy4methyl6oxocyclohexane13dicarboxylate
DIISOBUTYL2(4TERTBUTYLPHENYL)4HYDROXY4METHYL6OXO13CYCLOHEXANEDICARBOXYLATE
InChI=1SC27H40O6c116(2)143224(29)2220(28)1327(831)23(25(30)331517(3)4)21(22)1891119(121018)26(56)7h9121617212331H1315H218H3
MFCD03289083
ZINC000008438596
ZINC000013563620
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