Vitas-M small molecule compound
(E)-(4-fluorophenyl){1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-[4-(prop-2-en-1-yloxy)phenyl]pyrrolidin-3-ylidene}methanolate
Catalog ID
STK561953
SMILES C=CCOc1ccc(cc1)C1/C(=C(/c2ccc(cc2)F)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1
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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 C26H24FN3O4 MW 461.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24FN3O4/c1-2-16-34-21-10-6-18(7-11-21)23-22(24(31)19-4-8-20(27)9-5-19)25(32)26(33)30(23)14-3-13-29-15-12-28-17-29/h2,4-12,15,17,23,31H,1,3,13-14,16H2/b24-22+InChIKey
WTDISFSBTWBGFZ-ZNTNEXAZSA-NSynonyms
836640-25-6(4E)4((4FLUOROPHENYL)HYDROXYMETHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(4PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
(E)(4fluorophenyl)(1(3(1Himidazol3ium1yl)propyl)45dioxo2(4(prop2en1yloxy)phenyl)pyrrolidin3ylidene)methanolate
836640256
C=CCOC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)F)O)C(=O)C(=O)N2CCCN4C=CN=C4
C=CCOc1ccc(cc1)C1C(=C(c2ccc(cc2)F)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
InChI=1SC26H24FN3O4c1216342110618(71121)2322(24(31)194820(27)9519)25(32)26(33)30(23)14313291512281729h241215172331H13131416H2b2422+
MFCD18243936
ZINC000101294020
ZINC000101294022
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