Vitas-M small molecule compound
{4-(acetyloxy)-5-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-[(phenylcarbonyl)oxy]tetrahydrofuran-2,2-diyl}dimethanediyl dibenzoate (non-preferred name)
Catalog ID
STL434078
SMILES CC(=O)OC1C(OC(C1OC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1)n1cc(F)c(=O)[nH]c1=O
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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 C33H27FN2O11 MW 646.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H27FN2O11/c1-20(37)45-25-26(46-31(41)23-15-9-4-10-16-23)33(18-43-29(39)21-11-5-2-6-12-21,19-44-30(40)22-13-7-3-8-14-22)47-28(25)36-17-24(34)27(38)35-32(36)42/h2-17,25-26,28H,18-19H2,1H3,(H,35,38,42)InChIKey
ZNYLAWZIZNMCDT-UHFFFAOYSA-NSynonyms
(4(acetyloxy)5(5fluoro24dioxo34dihydropyrimidin1(2H)yl)3((phenylcarbonyl)oxy)tetrahydrofuran22diyl)dimethanediyldibenzoate(nonpreferredname)
(4acetyloxy3benzoyloxy2(benzoyloxymethyl)5(5fluoro24dioxopyrimidin1yl)oxolan2yl)methylbenzoate
CC(=O)OC1C(C(OC1N2C=C(C(=O)NC2=O)F)(COC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
CC(=O)OC1C(OC(C1OC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1)n1cc(F)c(=O)(nH)c1=O
InChI=1SC33H27FN2O11c120(37)452526(4631(41)231594101623)33(184329(39)21115261221194430(40)22137381422)4728(25)361724(34)27(38)3532(36)42h217252628H1819H21H3(H353842)
MFCD30711129
ZINC000253496627
ZINC000253496630
Check stock
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Check stock on Vitas-MAvailable files
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