Vitas-M small molecule compound
4-[(4,4-dimethyl-2,6-dioxocyclohexyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-2-methoxyphenyl acetate
Catalog ID
STK072854
SMILES COc1cc(ccc1OC(=O)C)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 C26H32O7 MW 456.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32O7/c1-14(27)33-20-8-7-15(9-21(20)32-6)22(23-16(28)10-25(2,3)11-17(23)29)24-18(30)12-26(4,5)13-19(24)31/h7-9,22-23,30H,10-13H2,1-6H3InChIKey
YKCSQKXBPBZWJC-UHFFFAOYSA-NSynonyms
(4((44DIMETHYL26DIOXOCYCLOHEXYL)(2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)METHYL)2METHOXYPHENYL)ACETATE
4((44DIMETHYL26DIOXOCYCLOHEXYL)(2HYDROXY44DIMETHYL6OXO1CYCLOHEXEN1YL)METHYL)2METHOXYPHENYLACETATE
4((44DIMETHYL26DIOXOCYCLOHEXYL)(2HYDROXY44DIMETHYL6OXOCYCLOHEX1EN1YL)METHYL)2METHOXYPHENYLACETATE
4((44DIMETHYL26DIOXOCYCLOHEXYL)(6HYDROXY44DIMETHYL2OXOCYCLOHEX1(6)ENYL)METHYL)2METHOXYPHENYLACETATE
CC(=O)OC1=C(C=C(C=C1)C(C2C(=O)CC(CC2=O)(C)C)C3=C(CC(CC3=O)(C)C)O)OC
COc1cc(ccc1OC(=O)C)C(C1=C(O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)C
InChI=1SC26H32O7c114(27)33208715(921(20)326)22(2316(28)1025(23)1117(23)29)2418(30)1226(45)1319(24)31h79222330H1013H216H3
MFCD00566544
STK072854
ZINC000100006840
ZINC000100006841
Check stock
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Check stock on Vitas-MAvailable files
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