Vitas-M small molecule compound
(16E)-5-hydroxy-8-methyl-4-(2,3,4-trimethoxyphenyl)-4,8,9,10,11,13,14,15-octahydro-2H,6H-oxacyclotetradecino[3,4-g]chromene-2,6,12(3H)-trione
Catalog ID
STL538575
SMILES COc1c(OC)ccc(c1OC)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 C30H34O9 MW 538.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34O9/c1-17-9-8-12-19(31)11-7-5-6-10-18-15-23-26(27(33)25(18)30(34)38-17)21(16-24(32)39-23)20-13-14-22(35-2)29(37-4)28(20)36-3/h6,10,13-15,17,21,33H,5,7-9,11-12,16H2,1-4H3/b10-6+InChIKey
KWAZFLOXEMEBIS-UXBLZVDNSA-NSynonyms
(12~(E))22hydroxy4methyl20(234trimethoxyphenyl)317dioxatricyclo(12800^(1621))docosa1(22)121416(21)tetraene2818trione
(16E)5hydroxy8methyl4(234trimethoxyphenyl)4891011131415octahydro2H6Hoxacyclotetradecino(34g)chromene2612(3H)trione
(8SE)5hydroxy8methyl4(234trimethoxyphenyl)348910111415octahydro(1)oxacyclotetradecino(34g)chromene2612(13H)trione
71754070
COc1c(OC)ccc(c1OC)C1CC(=O)Oc2c1c(O)c1c(c2)C=CCCCC(=O)CCC(C@@H)(OC1=O)C
InChI=1SC30H34O9c117981219(31)117561018152326(27(33)25(18)30(34)3817)21(1624(32)3923)20131422(352)29(374)28(20)363h6101315172133H579111216H214H3b106+
MFCD22574519
ZINC000254607567
ZINC000254607576
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