Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{2-(3-fluorophenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL039324
SMILES Fc1cccc(c1)C1N(CCCn2c[nH+]cc2)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/[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 C25H22FN3O5 MW 463.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22FN3O5/c26-18-4-1-3-16(13-18)22-21(23(30)17-5-6-19-20(14-17)34-12-11-33-19)24(31)25(32)29(22)9-2-8-28-10-7-27-15-28/h1,3-7,10,13-15,22,30H,2,8-9,11-12H2/b23-21+InChIKey
AAMQJDAEJRRISY-XTQSDGFTSA-NSynonyms
618410-35-8(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3FLUOROPHENYL)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(2(3fluorophenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)methanolate
4(2H3HBENZO(34E)14DIOXAN6YLCARBONYL)5(3FLUOROPHENYL)3HYDROXY1(3IMIDAZOLYLPROPYL)3PYRROLIN2ONE
618410358
C1COC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCCN4C=CN=C4)C5=CC(=CC=C5)F)O
Fc1cccc(c1)C1N(CCCn2c(nH+)cc2)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)(O)
InChI=1SC25H22FN3O5c261841316(1318)2221(23(30)17561920(1417)3412113319)24(31)25(32)29(22)92828107271528h1371013152230H2891112H2b2321+
MFCD18247808
ZINC000102863389
ZINC000102863392
Check stock
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Check stock on Vitas-MAvailable files
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