Vitas-M small molecule compound

di-tert-butyl 2-(4-tert-butylphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

Catalog ID
STK842553
SMILES O=C(C1C(=O)CC(C(C1c1ccc(cc1)C(C)(C)C)C(=O)OC(C)(C)C)(C)O)OC(C)(C)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/c1-24(2,3)17-13-11-16(12-14-17)19-20(22(29)32-25(4,5)6)18(28)15-27(10,31)21(19)23(30)33-26(7,8)9/h11-14,19-21,31H,15H2,1-10H3
InChIKey
IJCBZJFRFZYUKB-UHFFFAOYSA-N
Synonyms
1005051-07-9
1005051079
CC1(CC(=O)C(C(C1C(=O)OC(C)(C)C)C2=CC=C(C=C2)C(C)(C)C)C(=O)OC(C)(C)C)O
ditertbutyl2(4(tertbutyl)phenyl)4hydroxy4methyl6oxocyclohexane13dicarboxylate
ditertbutyl2(4tertbutylphenyl)4hydroxy4methyl6oxocyclohexane13dicarboxylate
InChI=1SC27H40O6c124(23)17131116(121417)1920(22(29)3225(45)6)18(28)1527(1031)21(19)23(30)3326(78)9h1114192131H15H2110H3
MFCD03299253
ZINC000004112425
ZINC000169694454

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Available files

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