Vitas-M small molecule compound
di-tert-butyl 2-(3,4-dimethoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Catalog ID
STK839800
SMILES COc1cc(ccc1OC)C1C(C(=O)OC(C)(C)C)C(=O)CC(C1C(=O)OC(C)(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/c1-23(2,3)32-21(27)19-15(26)13-25(7,29)20(22(28)33-24(4,5)6)18(19)14-10-11-16(30-8)17(12-14)31-9/h10-12,18-20,29H,13H2,1-9H3InChIKey
YNKGDJWIHICHTQ-UHFFFAOYSA-NSynonyms
459148-00-6459148006
CC1(CC(=O)C(C(C1C(=O)OC(C)(C)C)C2=CC(=C(C=C2)OC)OC)C(=O)OC(C)(C)C)O
DI(TERTBUTYL)2(34DIMETHOXYPHENYL)4HYDROXY4METHYL6OXO13CYCLOHEXANEDICARBOXYLATE
ditertbutyl2(34dimethoxyphenyl)4hydroxy4methyl6oxocyclohexane13dicarboxylate
InChI=1SC25H36O8c123(23)3221(27)1915(26)1325(729)20(22(28)3324(45)6)18(19)14101116(308)17(1214)319h1012182029H13H219H3
MFCD02029098
ZINC000012384242
ZINC000239433802
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