Vitas-M small molecule compound
(16E)-5-hydroxy-4-(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
STL538701
SMILES COc1cccc(c1)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 C28H30O7 MW 478.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30O7/c1-17-8-6-12-20(29)11-5-3-4-9-19-15-23-26(27(31)25(19)28(32)34-17)22(16-24(30)35-23)18-10-7-13-21(14-18)33-2/h4,7,9-10,13-15,17,22,31H,3,5-6,8,11-12,16H2,1-2H3/b9-4+InChIKey
HOKYOKFKIBBOLE-RUDMXATFSA-NSynonyms
(12~(E))22hydroxy20(3methoxyphenyl)4methyl317dioxatricyclo(12800^(1621))docosa1(22)121416(21)tetraene2818trione
(16E)5hydroxy4(3methoxyphenyl)8methyl4891011131415octahydro2H6Hoxacyclotetradecino(34g)chromene2612(3H)trione
(8SE)5hydroxy4(3methoxyphenyl)8methyl348910111415octahydro(1)oxacyclotetradecino(34g)chromene2612(13H)trione
71754297
COc1cccc(c1)C1CC(=O)Oc2c1c(O)c1c(c2)C=CCCCC(=O)CCC(C@@H)(OC1=O)C
InChI=1SC28H30O7c117861220(29)11534919152326(27(31)25(19)28(32)3417)22(1624(30)3523)181071321(1418)332h479101315172231H3568111216H212H3b94+
MFCD22574666
ZINC000254523712
ZINC001614470935
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