Vitas-M small molecule compound
(E)-(4-fluorophenyl){1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(3-propoxyphenyl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STK565323
SMILES CCCOc1cccc(c1)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 C26H26FN3O4 MW 463.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26FN3O4/c1-2-15-34-21-6-3-5-19(16-21)23-22(24(31)18-7-9-20(27)10-8-18)25(32)26(33)30(23)13-4-12-29-14-11-28-17-29/h3,5-11,14,16-17,23,31H,2,4,12-13,15H2,1H3/b24-22+InChIKey
BZYOMWLIHSWSFY-ZNTNEXAZSA-NSynonyms
620142-86-1(4E)4((4FLUOROPHENYL)HYDROXYMETHYLIDENE)1(3IMIDAZOL1YLPROPYL)5(3PROPOXYPHENYL)PYRROLIDINE23DIONE
(E)(4fluorophenyl)(1(3(1Himidazol3ium1yl)propyl)45dioxo2(3propoxyphenyl)pyrrolidin3ylidene)methanolate
620142861
CCCOC1=CC=CC(=C1)C2C(=C(C3=CC=C(C=C3)F)O)C(=O)C(=O)N2CCCN4C=CN=C4
CCCOc1cccc(c1)C1C(=C(c2ccc(cc2)F)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
InChI=1SC26H26FN3O4c1215342163519(1621)2322(24(31)187920(27)10818)25(32)26(33)30(23)13412291411281729h35111416172331H24121315H21H3b2422+
MFCD18244748
ZINC000102534193
ZINC000102534197
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