Vitas-M small molecule compound
(16E)-5-hydroxy-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
STL538428
SMILES O=C1CCC/C=C/c2cc3OC(=O)CC(c3c(c2C(=O)OC(CCC1)C)O)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 C30H34O6 MW 490.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34O6/c1-18(2)20-12-14-21(15-13-20)24-17-26(32)36-25-16-22-9-5-4-6-10-23(31)11-7-8-19(3)35-30(34)27(22)29(33)28(24)25/h5,9,12-16,18-19,24,33H,4,6-8,10-11,17H2,1-3H3/b9-5+InChIKey
SBDJBSCAMUHVMW-WEVVVXLNSA-NSynonyms
(12~(E))22hydroxy4methyl20(4propan2ylphenyl)317dioxatricyclo(12800^(1621))docosa1(22)121416(21)tetraene2818trione
(16E)5hydroxy8methyl4(4(propan2yl)phenyl)4891011131415octahydro2H6Hoxacyclotetradecino(34g)chromene2612(3H)trione
(8SE)5hydroxy4(4isopropylphenyl)8methyl348910111415octahydro(1)oxacyclotetradecino(34g)chromene2612(13H)trione
71753650
InChI=1SC30H34O6c118(2)20121421(151320)241726(32)3625162295461023(31)117819(3)3530(34)27(22)29(33)28(24)25h59121618192433H468101117H213H3b95+
MFCD22574239
O=C1CCCC=Cc2cc3OC(=O)CC(c3c(c2C(=O)O(C@H)(CCC1)C)O)c1ccc(cc1)C(C)C
ZINC000254403055
ZINC000254403064
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