Vitas-M small molecule compound
(16E)-5-hydroxy-8-methyl-4-[3-(2-methylpropoxy)phenyl]-4,8,9,10,11,13,14,15-octahydro-2H,6H-oxacyclotetradecino[3,4-g]chromene-2,6,12(3H)-trione
Catalog ID
STL538698
SMILES CC(COc1cccc(c1)C1CC(=O)Oc2c1c(O)c1c(c2)/C=C/CCCC(=O)CCCC(OC1=O)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 C31H36O7 MW 520.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36O7/c1-19(2)18-36-24-14-8-11-21(15-24)25-17-27(33)38-26-16-22-10-5-4-6-12-23(32)13-7-9-20(3)37-31(35)28(22)30(34)29(25)26/h5,8,10-11,14-16,19-20,25,34H,4,6-7,9,12-13,17-18H2,1-3H3/b10-5+InChIKey
DKBSFNHIVVOEDX-BJMVGYQFSA-NSynonyms
(12~(E))22hydroxy4methyl20(3(2methylpropoxy)phenyl)317dioxatricyclo(12800^(1621))docosa1(22)121416(21)tetraene2818trione
(16E)5hydroxy8methyl4(3(2methylpropoxy)phenyl)4891011131415octahydro2H6Hoxacyclotetradecino(34g)chromene2612(3H)trione
(8SE)5hydroxy4(3isobutoxyphenyl)8methyl348910111415octahydro(1)oxacyclotetradecino(34g)chromene2612(13H)trione
71753993
CC(COc1cccc(c1)C1CC(=O)Oc2c1c(O)c1c(c2)C=CCCCC(=O)CCC(C@@H)(OC1=O)C)C
InChI=1SC31H36O7c119(2)1836241481121(1524)251727(33)38261622105461223(32)137920(3)3731(35)28(22)30(34)29(25)26h581011141619202534H467912131718H213H3b105+
MFCD22574473
ZINC000254708371
ZINC001614470915
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