Vitas-M small molecule compound
(4E)-6-(4,6-dimethoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoic acid
Catalog ID
STL426069
SMILES COc1c(C/C=C(/CCC(=O)O)\C)c(OC)c2c(c1C)COC2=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 C18H22O6 MW 334.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22O6/c1-10(6-8-14(19)20)5-7-12-16(22-3)11(2)13-9-24-18(21)15(13)17(12)23-4/h5H,6-9H2,1-4H3,(H,19,20)/b10-5+InChIKey
KPDDZPBBEIESMK-BJMVGYQFSA-NSynonyms
38877-93-9(4E)6(46dimethoxy7methyl3oxo13dihydro2benzofuran5yl)4methylhex4enoicacid
(E)4METHYL6(3OXO46DIMETHOXY7METHYL13DIHYDROISOBENZOFURAN5YL)4HEXENOICACID
(E)6(46dimethoxy7methyl3oxo13dihydroisobenzofuran5yl)4methylhex4enoicacid
(E)6(46dimethoxy7methyl3oxo1H2benzofuran5yl)4methylhex4enoicacid
38877939
4METHYL6(3OXO7METHYL46DIMETHOXY13DIHYDROISOBENZOFURAN5YL)4HEXENOICACID
6(46DIMETHOXY7METHYL3OXO13DIHYDROISOBENZOFURAN5YL)4METHYLHEX4ENOICACID
CC1=C(C(=C(C2=C1COC2=O)OC)CC=C(C)CCC(=O)O)OC
COc1c(CC=C(CCC(=O)O)C)c(OC)c2c(c1C)COC2=O
InChI=1SC18H22O6c110(6814(19)20)571216(223)11(2)1392418(21)15(13)17(12)234h5H69H214H3(H1920)b105+
MFCD22375170
ZINC000028824028
ZINC28824028
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