Vitas-M small molecule compound
(16E)-4-(3,5-dimethoxyphenyl)-5-hydroxy-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
STL539702
SMILES COc1cc(OC)cc(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 C29H32O8 MW 508.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32O8/c1-17-8-7-11-20(30)10-6-4-5-9-18-14-24-27(28(32)26(18)29(33)36-17)23(16-25(31)37-24)19-12-21(34-2)15-22(13-19)35-3/h5,9,12-15,17,23,32H,4,6-8,10-11,16H2,1-3H3/b9-5+InChIKey
NHAQHRLBIKEAKD-WEVVVXLNSA-NSynonyms
(12~(E))20(35dimethoxyphenyl)22hydroxy4methyl317dioxatricyclo(12800^(1621))docosa1(22)121416(21)tetraene2818trione
(16E)4(35dimethoxyphenyl)5hydroxy8methyl4891011131415octahydro2H6Hoxacyclotetradecino(34g)chromene2612(3H)trione
(8SE)4(35dimethoxyphenyl)5hydroxy8methyl348910111415octahydro(1)oxacyclotetradecino(34g)chromene2612(13H)trione
71753655
COc1cc(OC)cc(c1)C1CC(=O)Oc2c1c(O)c1c(c2)C=CCCCC(=O)CCC(C@@H)(OC1=O)C
InChI=1SC29H32O8c117871120(30)10645918142427(28(32)26(18)29(33)3617)23(1625(31)3724)191221(342)1522(1319)353h591215172332H468101116H213H3b95+
MFCD22574241
ZINC000254865795
ZINC001614470967
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