Vitas-M small molecule compound
(16E)-5-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-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
STL538564
SMILES COc1cc(ccc1O)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 C28H30O8 MW 494.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30O8/c1-16-7-6-10-19(29)9-5-3-4-8-18-14-23-26(27(32)25(18)28(33)35-16)20(15-24(31)36-23)17-11-12-21(30)22(13-17)34-2/h4,8,11-14,16,20,30,32H,3,5-7,9-10,15H2,1-2H3/b8-4+InChIKey
YYYNXPWXUTUFAG-XBXARRHUSA-NSynonyms
(12~(E))22hydroxy20(4hydroxy3methoxyphenyl)4methyl317dioxatricyclo(12800^(1621))docosa1(22)121416(21)tetraene2818trione
(16E)5hydroxy4(4hydroxy3methoxyphenyl)8methyl4891011131415octahydro2H6Hoxacyclotetradecino(34g)chromene2612(3H)trione
(8SE)5hydroxy4(4hydroxy3methoxyphenyl)8methyl348910111415octahydro(1)oxacyclotetradecino(34g)chromene2612(13H)trione
71753965
COc1cc(ccc1O)C1CC(=O)Oc2c1c(O)c1c(c2)C=CCCCC(=O)CCC(C@@H)(OC1=O)C
InChI=1SC28H30O8c116761019(29)9534818142326(27(32)25(18)28(33)3516)20(1524(31)3623)17111221(30)22(1317)342h48111416203032H35791015H212H3b84+
MFCD22574457
ZINC000263622441
ZINC000263622444
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