Vitas-M small molecule compound
(8S,16E)-5-methoxy-8-methyl-4-[4-(propan-2-yl)phenyl]-4,8,9,10,11,13,14,15-octahydro-2H,6H-oxacyclotetradecino[3,4-g]chromene-2,6,12(3H)-trione
Catalog ID
STL538625
SMILES COc1c2C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/c2cc2c1C(CC(=O)O2)c1ccc(cc1)C(C)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 C31H36O6 MW 504.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36O6/c1-19(2)21-13-15-22(16-14-21)25-18-27(33)37-26-17-23-10-6-5-7-11-24(32)12-8-9-20(3)36-31(34)28(23)30(35-4)29(25)26/h6,10,13-17,19-20,25H,5,7-9,11-12,18H2,1-4H3/b10-6+/t20-,25?/m0/s1InChIKey
CUINMXKTEOKVJJ-PHRVMANWSA-NSynonyms
(4~(S)12~(E))22methoxy4methyl20(4propan2ylphenyl)317dioxatricyclo(12800^(1621))docosa1(22)121416(21)tetraene2818trione
(8S16E)5methoxy8methyl4(4(propan2yl)phenyl)4891011131415octahydro2H6Hoxacyclotetradecino(34g)chromene2612(3H)trione
(8SE)4(4isopropylphenyl)5methoxy8methyl348910111415octahydro(1)oxacyclotetradecino(34g)chromene2612(13H)trione
71754050
COc1c2C(=O)O(C@@H)(C)CCCC(=O)CCCC=Cc2cc2c1C(CC(=O)O2)c1ccc(cc1)C(C)C
InChI=1SC31H36O6c119(2)21131522(161421)251827(33)37261723106571124(32)128920(3)3631(34)28(23)30(354)29(25)26h6101317192025H579111218H214H3b106+t2025?m0s1
ZINC000254556139
ZINC000254556140
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