Vitas-M small molecule compound

bis(2-methylpropyl) 4-hydroxy-4-methyl-6-oxo-2-(pyridin-3-yl)cyclohexane-1,3-dicarboxylate

Catalog ID
STL542634
SMILES CC(COC(=O)C1C(=O)CC(C(C1c1cccnc1)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 C22H31NO6 MW 405.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31NO6/c1-13(2)11-28-20(25)18-16(24)9-22(5,27)19(21(26)29-12-14(3)4)17(18)15-7-6-8-23-10-15/h6-8,10,13-14,17-19,27H,9,11-12H2,1-5H3
InChIKey
LMKUOKKDOOIZLE-UHFFFAOYSA-N
Synonyms
1005066-47-6
1005066476
3237578
bis(2methylpropyl)4hydroxy4methyl6oxo2(pyridin3yl)cyclohexane13dicarboxylate
BIS(2METHYLPROPYL)4HYDROXY4METHYL6OXO2PYRIDIN3YLCYCLOHEXANE13DICARBOXYLATE
DIISOBUTYL4HYDROXY4METHYL6OXO2(3PYRIDINYL)13CYCLOHEXANEDICARBOXYLATE
diisobutyl4hydroxy4methyl6oxo2(pyridin3yl)cyclohexane13dicarboxylate
DIISOBUTYL4HYDROXY4METHYL6OXO2PYRIDIN3YLCYCLOHEXANE13DICARBOXYLATE
InChI=1SC22H31NO6c113(2)112820(25)1816(24)922(527)19(21(26)291214(3)4)17(18)15768231015h68101314171927H91112H215H3
MFCD03267335
ZINC000003999644
ZINC000012661171

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Available files

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