Vitas-M small molecule compound
dimethyl 2-[4-(benzyloxy)phenyl]-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Catalog ID
STK396737
SMILES COC(=O)C1C(=O)CC(C(C1c1ccc(cc1)OCc1ccccc1)C(=O)OC)(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 C24H26O7 MW 426.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26O7/c1-24(28)13-18(25)20(22(26)29-2)19(21(24)23(27)30-3)16-9-11-17(12-10-16)31-14-15-7-5-4-6-8-15/h4-12,19-21,28H,13-14H2,1-3H3InChIKey
LNRRHEGBTGNKRX-UHFFFAOYSA-NSynonyms
CC1(CC(=O)C(C(C1C(=O)OC)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OC)O
dimethyl2(4(benzyloxy)phenyl)4hydroxy4methyl6oxocyclohexane13dicarboxylate
DIMETHYL4HYDROXY4METHYL6OXO2(4PHENYLMETHOXYPHENYL)CYCLOHEXANE13DICARBOXYLATE
InChI=1SC24H26O7c124(28)1318(25)20(22(26)292)19(21(24)23(27)303)1691117(121016)3114157546815h412192128H1314H213H3
METHYL2HYDROXY5(METHOXYCARBONYL)2METHYL4OXO6(4(PHENYLMETHOXY)PHENYL)CYCLOHEXANECARBOXYLATE
MFCD00785385
ZINC000004108350
ZINC000226849909
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