Vitas-M small molecule compound

di-tert-butyl 4-hydroxy-4-methyl-6-oxo-2-(pyridin-3-yl)cyclohexane-1,3-dicarboxylate

Catalog ID
STL237535
SMILES O=C(C1C(=O)CC(C(C1c1cccnc1)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 C22H31NO6 MW 405.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31NO6/c1-20(2,3)28-18(25)16-14(24)11-22(7,27)17(19(26)29-21(4,5)6)15(16)13-9-8-10-23-12-13/h8-10,12,15-17,27H,11H2,1-7H3
InChIKey
BRQQPZMKNJUDNH-UHFFFAOYSA-N
Synonyms
1005270-17-6
1005270176
4HYDROXY4METHYL6OXO2(3PYRIDINYL)CYCLOHEXANE13DICARBOXYLICACIDDITERTBUTYLESTER
4HYDROXY4METHYL6OXO2PYRIDIN3YLCYCLOHEXANE13DICARBOXYLICACIDDITERTBUTYLESTER
4HYDROXY6KETO4METHYL2(3PYRIDYL)CYCLOHEXANE13DICARBOXYLICACIDDITERTBUTYLESTER
CC1(CC(=O)C(C(C1C(=O)OC(C)(C)C)C2=CN=CC=C2)C(=O)OC(C)(C)C)O
DI(TERTBUTYL)4HYDROXY4METHYL6OXO2(3PYRIDINYL)13CYCLOHEXANEDICARBOXYLATE
ditertbutyl4hydroxy4methyl6oxo2(pyridin3yl)cyclohexane13dicarboxylate
DITERTBUTYL4HYDROXY4METHYL6OXO2PYRIDIN3YLCYCLOHEXANE13DICARBOXYLATE
DITERTBUTYL4METHYL4OXIDANYL6OXIDANYLIDENE2PYRIDIN3YLCYCLOHEXANE13DICARBOXYLATE
InChI=1SC22H31NO6c120(23)2818(25)1614(24)1122(727)17(19(26)2921(45)6)15(16)139810231213h81012151727H11H217H3
MFCD03289763
ZINC000004003932
ZINC000169301644

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.