Vitas-M small molecule compound
4-{3-(furan-2-ylcarbonyl)-4-hydroxy-1-[3-(morpholin-4-ium-4-yl)propyl]-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}-2-methoxyphenolate
Catalog ID
STL046061
SMILES COc1cc(ccc1[O-])C1N(CCC[NH+]2CCOCC2)C(=O)C(=C1C(=O)c1ccco1)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 C23H26N2O7 MW 442.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O7/c1-30-18-14-15(5-6-16(18)26)20-19(21(27)17-4-2-11-32-17)22(28)23(29)25(20)8-3-7-24-9-12-31-13-10-24/h2,4-6,11,14,20,26,28H,3,7-10,12-13H2,1H3InChIKey
XMAPQOCYVLLQFZ-UHFFFAOYSA-NSynonyms
489401-39-03(FURAN2CARBONYL)4HYDROXY2(4HYDROXY3METHOXYPHENYL)1(3MORPHOLIN4YLPROPYL)2HPYRROL5ONE
4(3(FURAN2CARBONYL)4HYDROXY1(3MORPHOLIN4IUM4YLPROPYL)5OXO2HPYRROL2YL)2METHOXYPHENOLATE
4(3(furan2ylcarbonyl)4hydroxy1(3(morpholin4ium4yl)propyl)5oxo25dihydro1Hpyrrol2yl)2methoxyphenolate
4(3(FURAN2YLCARBONYL)4HYDROXY1(3MORPHOLIN4IUM4YLPROPYL)5OXO25DIHYDRO1HPYRROL2YL)2METHOXYPHENOLATE
489401390
COC1=C(C=CC(=C1)C2C(=C(C(=O)N2CCCN3CCOCC3)O)C(=O)C4=CC=CO4)O
COc1cc(ccc1(O))C1N(CCC(NH+)2CCOCC2)C(=O)C(=C1C(=O)c1ccco1)O
InChI=1SC23H26N2O7c130181415(5616(18)26)2019(21(27)1742113217)22(28)23(29)25(20)8372491231131024h2461114202628H37101213H21H3
MFCD03295915
ZINC000020082139
ZINC000020082143
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.