Vitas-M small molecule compound
(16E)-5-hydroxy-8-methyl-4-(4-{[4-(propan-2-yl)benzyl]oxy}phenyl)-4,8,9,10,11,13,14,15-octahydro-2H,6H-oxacyclotetradecino[3,4-g]chromene-2,6,12(3H)-trione
Catalog ID
STL539931
SMILES O=C1CCC/C=C/c2cc3OC(=O)CC(c3c(c2C(=O)OC(CCC1)C)O)c1ccc(cc1)OCc1ccc(cc1)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 C37H40O7 MW 596.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H40O7/c1-23(2)26-14-12-25(13-15-26)22-42-30-18-16-27(17-19-30)31-21-33(39)44-32-20-28-9-5-4-6-10-29(38)11-7-8-24(3)43-37(41)34(28)36(40)35(31)32/h5,9,12-20,23-24,31,40H,4,6-8,10-11,21-22H2,1-3H3/b9-5+InChIKey
SZWSJZAITXKCQL-WEVVVXLNSA-NSynonyms
(12~(E))22hydroxy4methyl20(4((4propan2ylphenyl)methoxy)phenyl)317dioxatricyclo(12800^(1621))docosa1(22)121416(21)tetraene2818trione
(16E)5hydroxy8methyl4(4((4(propan2yl)benzyl)oxy)phenyl)4891011131415octahydro2H6Hoxacyclotetradecino(34g)chromene2612(3H)trione
(8SE)5hydroxy4(4((4isopropylbenzyl)oxy)phenyl)8methyl348910111415octahydro(1)oxacyclotetradecino(34g)chromene2612(13H)trione
71754352
InChI=1SC37H40O7c123(2)26141225(131526)224230181627(171930)312133(39)4432202895461029(38)117824(3)4337(41)34(28)36(40)35(31)32h59122023243140H46810112122H213H3b95+
MFCD22574700
O=C1CCCC=Cc2cc3OC(=O)CC(c3c(c2C(=O)O(C@H)(CCC1)C)O)c1ccc(cc1)OCc1ccc(cc1)C(C)C
ZINC000254404467
ZINC001614470999
Check stock
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Check stock on Vitas-MAvailable files
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