Vitas-M small molecule compound
(8S,16E)-5-methoxy-4-(4-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
STL538651
SMILES COc1ccc(cc1)C1CC(=O)Oc2c1c(OC)c1c(c2)/C=C/CCCC(=O)CCC[C@@H](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 C29H32O7 MW 492.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32O7/c1-18-8-7-11-21(30)10-6-4-5-9-20-16-24-27(28(34-3)26(20)29(32)35-18)23(17-25(31)36-24)19-12-14-22(33-2)15-13-19/h5,9,12-16,18,23H,4,6-8,10-11,17H2,1-3H3/b9-5+/t18-,23?/m0/s1InChIKey
WHEJRHZMODLJHN-XFSVYZGWSA-NSynonyms
(4~(S)12~(E))22methoxy20(4methoxyphenyl)4methyl317dioxatricyclo(12800^(1621))docosa1(22)121416(21)tetraene2818trione
(8S16E)5methoxy4(4methoxyphenyl)8methyl4891011131415octahydro2H6Hoxacyclotetradecino(34g)chromene2612(3H)trione
(8SE)5methoxy4(4methoxyphenyl)8methyl348910111415octahydro(1)oxacyclotetradecino(34g)chromene2612(13H)trione
71754282
COc1ccc(cc1)C1CC(=O)Oc2c1c(OC)c1c(c2)C=CCCCC(=O)CCC(C@@H)(OC1=O)C
InChI=1SC29H32O7c118871121(30)10645920162427(28(343)26(20)29(32)3518)23(1725(31)3624)19121422(332)151319h5912161823H468101117H213H3b95+t1823?m0s1
ZINC000254439646
ZINC000254439650
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