Vitas-M small molecule compound
dimethyl 4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Catalog ID
STL329219
SMILES COC(=O)C1C(=O)CC(C(C1c1ccc(c(c1)OC)O)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 C18H22O8 MW 366.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22O8/c1-18(23)8-11(20)14(16(21)25-3)13(15(18)17(22)26-4)9-5-6-10(19)12(7-9)24-2/h5-7,13-15,19,23H,8H2,1-4H3InChIKey
JNDOIVKCAMWRMW-UHFFFAOYSA-NSynonyms
CC1(CC(=O)C(C(C1C(=O)OC)C2=CC(=C(C=C2)O)OC)C(=O)OC)O
DIMETHYL4HYDROXY2(4HYDROXY3METHOXYPHENYL)4METHYL6OXO13CYCLOHEXANEDICARBOXYLATE
dimethyl4hydroxy2(4hydroxy3methoxyphenyl)4methyl6oxocyclohexane13dicarboxylate
InChI=1SC18H22O8c118(23)811(20)14(16(21)253)13(15(18)17(22)264)95610(19)12(79)242h5713151923H8H214H3
MFCD01541655
ZINC000000969817
ZINC000012437297
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