Vitas-M small molecule compound
ethyl {4-[(4,4-dimethyl-2,6-dioxocyclohexyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-2-methoxyphenoxy}acetate
Catalog ID
STK672551
SMILES CCOC(=O)COc1ccc(cc1OC)C(C1=C(O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)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 C28H36O8 MW 500.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36O8/c1-7-35-23(33)15-36-21-9-8-16(10-22(21)34-6)24(25-17(29)11-27(2,3)12-18(25)30)26-19(31)13-28(4,5)14-20(26)32/h8-10,24-25,31H,7,11-15H2,1-6H3InChIKey
MSOVVXZQLZIHJC-UHFFFAOYSA-NSynonyms
CCOC(=O)COC1=C(C=C(C=C1)C(C2C(=O)CC(CC2=O)(C)C)C3=C(CC(CC3=O)(C)C)O)OC
ETHYL(4((44DIMETHYL26DIOXOCYCLOHEXYL)(2HYDROXY44DIMETHYL6OXO1CYCLOHEXEN1YL)METHYL)2METHOXYPHENOXY)ACETATE
ethyl(4((44dimethyl26dioxocyclohexyl)(2hydroxy44dimethyl6oxocyclohex1en1yl)methyl)2methoxyphenoxy)acetate
ETHYL2(4((44DIMETHYL26DIOXOCYCLOHEXYL)(2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)METHYL)2METHOXYPHENOXY)ACETATE
InChI=1SC28H36O8c173523(33)1536219816(1022(21)346)24(2517(29)1127(23)1218(25)30)2619(31)1328(45)1420(26)32h810242531H71115H216H3
MFCD00824698
ZINC000100050076
ZINC000100050078
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