Vitas-M small molecule compound
dipropan-2-yl 4-hydroxy-4-methyl-6-oxo-2-[(E)-2-phenylethenyl]cyclohexane-1,3-dicarboxylate
Catalog ID
STL527394
SMILES CC(OC(=O)C1C(=O)CC(C(C1/C=C/c1ccccc1)C(=O)OC(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 C23H30O6 MW 402.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30O6/c1-14(2)28-21(25)19-17(12-11-16-9-7-6-8-10-16)20(22(26)29-15(3)4)23(5,27)13-18(19)24/h6-12,14-15,17,19-20,27H,13H2,1-5H3/b12-11+InChIKey
WAWRHMOJAIJNCG-VAWYXSNFSA-NSynonyms
6042-94-0(E)diisopropyl4hydroxy4methyl6oxo2styrylcyclohexane13dicarboxylate
4HYDROXY4METHYL6OXO2STYRYLCYCLOHEXANE13DICARBOXYLICACIDDIISOPROPYL
5346833
6042940
CC(OC(=O)C1C(=O)CC(C(C1C=Cc1ccccc1)C(=O)OC(C)C)(C)O)C
dipropan2yl4hydroxy4methyl6oxo2((~(E))2phenylethenyl)cyclohexane13dicarboxylate
dipropan2yl4hydroxy4methyl6oxo2((E)2phenylethenyl)cyclohexane13dicarboxylate
InChI=1SC23H30O6c114(2)2821(25)1917(12111697681016)20(22(26)2915(3)4)23(527)1318(19)24h612141517192027H13H215H3b1211+
MFCD02049840
ZINC000000864384
ZINC000012661242
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