Vitas-M small molecule compound
dipropan-2-yl 2-(1,3-benzodioxol-5-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Catalog ID
STL439490
SMILES CC(OC(=O)C1C(=O)CC(C(C1c1ccc2c(c1)OCO2)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 C22H28O8 MW 420.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28O8/c1-11(2)29-20(24)18-14(23)9-22(5,26)19(21(25)30-12(3)4)17(18)13-6-7-15-16(8-13)28-10-27-15/h6-8,11-12,17-19,26H,9-10H2,1-5H3InChIKey
QWYGVISYQCTGHW-UHFFFAOYSA-NSynonyms
CC(C)OC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OC(C)C)C2=CC3=C(C=C2)OCO3
DIISOPROPYL2(13BENZODIOXOL5YL)4HYDROXY4METHYL6OXO13CYCLOHEXANEDICARBOXYLATE
dipropan2yl2(13benzodioxol5yl)4hydroxy4methyl6oxocyclohexane13dicarboxylate
InChI=1SC22H28O8c111(2)2920(24)1814(23)922(526)19(21(25)3012(3)4)17(18)13671516(813)28102715h681112171926H910H215H3
MFCD02049837
ZINC000004671029
ZINC000013387766
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