Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{2-(2-fluorophenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL045115
SMILES [O-]/C(=C\1/C(=O)C(=O)N(C1c1ccccc1F)CCCn1cc[nH+]c1)/c1ccc2c(c1)OCCO2
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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/c26-18-5-2-1-4-17(18)22-21(23(30)16-6-7-19-20(14-16)34-13-12-33-19)24(31)25(32)29(22)10-3-9-28-11-8-27-15-28/h1-2,4-8,11,14-15,22,30H,3,9-10,12-13H2/b23-21+InChIKey
KPVARJLRJSAOPA-XTQSDGFTSA-NSynonyms
618410-28-9(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(2FLUOROPHENYL)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(2(2fluorophenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)methanolate
(O)C(=C1C(=O)C(=O)N(C1c1ccccc1F)CCCn1cc(nH+)c1)c1ccc2c(c1)OCCO2
618410289
C1COC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCCN4C=CN=C4)C5=CC=CC=C5F)O
InChI=1SC25H22FN3O5c2618521417(18)2221(23(30)16671920(1416)3413123319)24(31)25(32)29(22)103928118271528h12481114152230H39101213H2b2321+
MFCD18248567
ZINC000102877451
ZINC000102877453
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