Vitas-M small molecule compound
4-(5-{1-[2,4-dihydroxy-5-(methoxycarbonyl)pyridin-3-yl]-3-methoxy-3-oxopropyl}furan-2-yl)benzoic acid
Catalog ID
STL544857
SMILES COC(=O)CC(c1c(O)ncc(c1O)C(=O)OC)c1ccc(o1)c1ccc(cc1)C(=O)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 C22H19NO9 MW 441.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19NO9/c1-30-17(24)9-13(18-19(25)14(22(29)31-2)10-23-20(18)26)16-8-7-15(32-16)11-3-5-12(6-4-11)21(27)28/h3-8,10,13H,9H2,1-2H3,(H,27,28)(H2,23,25,26)InChIKey
KRWAEHITSVAJFN-UHFFFAOYSA-NSynonyms
1676097-91-8102565003
1676097918
4(5(1(24dihydroxy5(methoxycarbonyl)pyridin3yl)3methoxy3oxopropyl)furan2yl)benzoicacid
4(5(1(4HYDROXY5(METHOXYCARBONYL)2OXO12DIHYDROPYRIDIN3YL)3METHOXY3OXOPROPYL)FURAN2YL)BENZOICACID
4(5(1(4hydroxy5methoxycarbonyl2oxo1~(H)pyridin3yl)3methoxy3oxopropyl)furan2yl)benzoicacid
InChI=1SC22H19NO9c13017(24)913(1819(25)14(22(29)312)102320(18)26)168715(3216)113512(6411)21(27)28h381013H9H212H3(H2728)(H2232526)
MFCD31756136
ZINC000218081712
ZINC000218081779
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