Vitas-M small molecule compound
(16E)-5-hydroxy-4-[4-methoxy-3-(propan-2-yloxy)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
STL538543
SMILES COc1ccc(cc1OC(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 C31H36O8 MW 536.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36O8/c1-18(2)37-25-15-20(13-14-24(25)36-4)23-17-27(33)39-26-16-21-10-6-5-7-11-22(32)12-8-9-19(3)38-31(35)28(21)30(34)29(23)26/h6,10,13-16,18-19,23,34H,5,7-9,11-12,17H2,1-4H3/b10-6+InChIKey
JXICOOKDANHSCM-UXBLZVDNSA-NSynonyms
(12~(E))22hydroxy20(4methoxy3propan2yloxyphenyl)4methyl317dioxatricyclo(12800^(1621))docosa1(22)121416(21)tetraene2818trione
(16E)5hydroxy4(4methoxy3(propan2yloxy)phenyl)8methyl4891011131415octahydro2H6Hoxacyclotetradecino(34g)chromene2612(3H)trione
(8SE)5hydroxy4(3isopropoxy4methoxyphenyl)8methyl348910111415octahydro(1)oxacyclotetradecino(34g)chromene2612(13H)trione
71754252
COc1ccc(cc1OC(C)C)C1CC(=O)Oc2c1c(O)c1c(c2)C=CCCCC(=O)CCC(C@@H)(OC1=O)C
InChI=1SC31H36O8c118(2)37251520(131424(25)364)231727(33)39261621106571122(32)128919(3)3831(35)28(21)30(34)29(23)26h610131618192334H579111217H214H3b106+
MFCD22574633
ZINC000254379020
ZINC000254379023
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