Vitas-M small molecule compound
(16E)-5-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-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
STL538647
SMILES COc1cc(cc(c1O)OC)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 C29H32O9 MW 524.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32O9/c1-16-8-7-11-19(30)10-6-4-5-9-17-12-21-26(28(33)25(17)29(34)37-16)20(15-24(31)38-21)18-13-22(35-2)27(32)23(14-18)36-3/h5,9,12-14,16,20,32-33H,4,6-8,10-11,15H2,1-3H3/b9-5+InChIKey
WGJOSLQQHQYNBP-WEVVVXLNSA-NSynonyms
(12~(E))22hydroxy20(4hydroxy35dimethoxyphenyl)4methyl317dioxatricyclo(12800^(1621))docosa1(22)121416(21)tetraene2818trione
(16E)5hydroxy4(4hydroxy35dimethoxyphenyl)8methyl4891011131415octahydro2H6Hoxacyclotetradecino(34g)chromene2612(3H)trione
(8SE)5hydroxy4(4hydroxy35dimethoxyphenyl)8methyl348910111415octahydro(1)oxacyclotetradecino(34g)chromene2612(13H)trione
71754123
COc1cc(cc(c1O)OC)C1CC(=O)Oc2c1c(O)c1c(c2)C=CCCCC(=O)CCC(C@@H)(OC1=O)C
InChI=1SC29H32O9c116871119(30)10645917122126(28(33)25(17)29(34)3716)20(1524(31)3821)181322(352)27(32)23(1418)363h59121416203233H468101115H213H3b95+
MFCD22574557
ZINC000254868556
ZINC001614471098
Check stock
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