Vitas-M small molecule compound
dimethyl 2-(1,3-benzodioxol-5-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Catalog ID
STK021957
SMILES COC(=O)C1C(=O)CC(C(C1c1ccc2c(c1)OCO2)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 C18H20O8 MW 364.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20O8/c1-18(22)7-10(19)14(16(20)23-2)13(15(18)17(21)24-3)9-4-5-11-12(6-9)26-8-25-11/h4-6,13-15,22H,7-8H2,1-3H3InChIKey
AKIVAEMHBBAVNN-UHFFFAOYSA-NSynonyms
356784-09-3(4R)dimethyl2(benzo(d)(13)dioxol5yl)4hydroxy4methyl6oxocyclohexane13dicarboxylate
13DIMETHYL2(2H13BENZODIOXOL5YL)4HYDROXY4METHYL6OXOCYCLOHEXANE13DICARBOXYLATE
356784093
CC1(CC(=O)C(C(C1C(=O)OC)C2=CC3=C(C=C2)OCO3)C(=O)OC)O
COC(=O)C1C(=O)C(C@@)(C(C1c1ccc2c(c1)OCO2)C(=O)OC)(C)O
COC(=O)C1C(=O)CC(C(C1c1ccc2c(c1)OCO2)C(=O)OC)(C)O
DIMETHYL(1S2R3R4S)2(13BENZODIOXOL5YL)4HYDROXY4METHYL6OXOCYCLOHEXANE13DICARBOXYLATE
DIMETHYL2(13BENZODIOXOL5YL)4HYDROXY4METHYL6OXOCYCLOHEXANE13DICARBOXYLATE
InChI=1SC18H20O8c118(22)710(19)14(16(20)232)13(15(18)17(21)243)9451112(69)2682511h46131522H78H213H3
METHYL6(2HBENZO(34D)13DIOXOLAN5YL)2HYDROXY5(METHOXYCARBONYL)2METHYL4OXOCYCLOHEXANECARBOXYLATE
MFCD00718123
STK021957
ZINC000001066579
ZINC000013154844
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