Vitas-M small molecule compound

2,8,14,20-tetrakis(4-hydroxyphenyl)pentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-4,6,10,12,16,18,22,24-octol

Catalog ID
STK376750
SMILES Oc1cc(O)c2cc1C(c1ccc(cc1)O)c1cc(c(cc1O)O)C(c1ccc(cc1)O)c1cc(C(c3cc(C2c2ccc(cc2)O)c(O)cc3O)c2ccc(cc2)O)c(cc1O)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 C52H40O12 MW 856.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C52H40O12/c53-29-9-1-25(2-10-29)49-33-17-35(43(59)21-41(33)57)50(26-3-11-30(54)12-4-26)37-19-39(47(63)23-45(37)61)52(28-7-15-32(56)16-8-28)40-20-38(46(62)24-48(40)64)51(27-5-13-31(55)14-6-27)36-18-34(49)42(58)22-44(36)60/h1-24,49-64H
InChIKey
WQMHDKXCEBMUSJ-UHFFFAOYSA-N
Synonyms

281420tetrakis(4hydroxyphenyl)pentacyclo(19311~37~1~913~1~1519~)octacosa1(25)3(28)469(27)101215(26)16182123dodecaene46101216182224octol
66((46DIHYDROXYMPHENYLENE)BIS((4HYDROXYPHENYL)METHYLENE))(44((46DIHYDROXYMPHENYLENE)BIS((4HYDROXYPHENYL)METHYLENE))BIS(BENZENE13DIOL))
C1=CC(=CC=C1C2C3=CC(=C(C=C3O)O)C(C4=CC(=C(C=C4O)O)C(C5=C(C=C(C(=C5)C(C6=C(C=C(C2=C6)O)O)C7=CC=C(C=C7)O)O)O)C8=CC=C(C=C8)O)C9=CC=C(C=C9)O)O
InChI=1SC52H40O12c53299125(21029)49331735(43(59)2141(33)57)50(2631130(54)12426)371939(47(63)2345(37)61)52(2871532(56)16828)402038(46(62)2448(40)64)51(2751331(55)14627)361834(49)42(58)2244(36)60h1244964H
MFCD00837769
ZINC000150394539
ZINC150394539

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Available files

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