Vitas-M small molecule compound
bis(2-methylpropyl) 2-(4-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Catalog ID
STK998093
SMILES CC(COC(=O)C1C(=O)CC(C(C1c1ccc(cc1)Cl)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 C23H31ClO6 MW 438.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31ClO6/c1-13(2)11-29-21(26)19-17(25)10-23(5,28)20(22(27)30-12-14(3)4)18(19)15-6-8-16(24)9-7-15/h6-9,13-14,18-20,28H,10-12H2,1-5H3InChIKey
PCHLMRSRHSVUTR-UHFFFAOYSA-NSynonyms
1023143-77-21023143772
bis(2methylpropyl)2(4chlorophenyl)4hydroxy4methyl6oxocyclohexane13dicarboxylate
CC(C)COC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC(C)C)C2=CC=C(C=C2)Cl
diisobutyl2(4chlorophenyl)4hydroxy4methyl6oxocyclohexane13dicarboxylate
InChI=1SC23H31ClO6c113(2)112921(26)1917(25)1023(528)20(22(27)301214(3)4)18(19)156816(24)9715h691314182028H1012H215H3
MFCD03302190
ZINC000009318239
ZINC000013598910
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