Vitas-M small molecule compound
(16E)-5-hydroxy-4-[4-methoxy-3-(2-methylpropoxy)phenyl]-8-methyl-4,8,9,10,11,13,14,15-octahydro-2H,6H-oxacyclotetradecino[3,4-g]chromene-2,6,12(3H)-trione
Catalog ID
STL538260
SMILES COc1ccc(cc1OCC(C)C)C1CC(=O)Oc2c1c(O)c1c(c2)/C=C/CCCC(=O)CCCC(OC1=O)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 C32H38O8 MW 550.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H38O8/c1-19(2)18-38-26-15-21(13-14-25(26)37-4)24-17-28(34)40-27-16-22-10-6-5-7-11-23(33)12-8-9-20(3)39-32(36)29(22)31(35)30(24)27/h6,10,13-16,19-20,24,35H,5,7-9,11-12,17-18H2,1-4H3/b10-6+InChIKey
IGOAHIPOXJMGRF-UXBLZVDNSA-NSynonyms
(12~(E))22hydroxy20(4methoxy3(2methylpropoxy)phenyl)4methyl317dioxatricyclo(12800^(1621))docosa1(22)121416(21)tetraene2818trione
(16E)5hydroxy4(4methoxy3(2methylpropoxy)phenyl)8methyl4891011131415octahydro2H6Hoxacyclotetradecino(34g)chromene2612(3H)trione
(8SE)5hydroxy4(3isobutoxy4methoxyphenyl)8methyl348910111415octahydro(1)oxacyclotetradecino(34g)chromene2612(13H)trione
71753866
COc1ccc(cc1OCC(C)C)C1CC(=O)Oc2c1c(O)c1c(c2)C=CCCCC(=O)CCC(C@@H)(OC1=O)C
InChI=1SC32H38O8c119(2)1838261521(131425(26)374)241728(34)40271622106571123(33)128920(3)3932(36)29(22)31(35)30(24)27h610131619202435H57911121718H214H3b106+
MFCD22574390
ZINC000254566652
ZINC001614470939
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