Vitas-M small molecule compound
dimethyl 3,3'-(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate]
Catalog ID
STL545605
SMILES COC(=O)CC(C1=C(O)C(=O)C(=C(C1=O)O)C(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)CC(=O)OC)c1cc(c(c(c1)C(C)(C)C)O)C(C)(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 C42H56O10 MW 720.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H56O10/c1-39(2,3)25-15-21(16-26(33(25)45)40(4,5)6)23(19-29(43)51-13)31-35(47)37(49)32(38(50)36(31)48)24(20-30(44)52-14)22-17-27(41(7,8)9)34(46)28(18-22)42(10,11)12/h15-18,23-24,45-47,50H,19-20H2,1-14H3InChIKey
DWTYUANUZXYXKT-UHFFFAOYSA-NSynonyms
1676073-84-9102564536
1676073849
dimethyl33(25dihydroxy36dioxocyclohexa14diene14diyl)bis(3(35ditertbutyl4hydroxyphenyl)propanoate)
InChI=1SC42H56O10c139(23)251521(1626(33(25)45)40(45)6)23(1929(43)5113)3135(47)37(49)32(38(50)36(31)48)24(2030(44)5214)221727(41(78)9)34(46)28(1822)42(1011)12h15182324454750H1920H2114H3
methyl3(35di~(tert)butyl4hydroxyphenyl)3(4(1(35di~(tert)butyl4hydroxyphenyl)3methoxy3oxopropyl)25dihydroxy36dioxocyclohexa14dien1yl)propanoate
MFCD28985435
ZINC000217964255
ZINC000217964412
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