Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(pyridin-4-yl)pyrrolidin-3-ylidene}(4-fluorophenyl)methanolate
Catalog ID
STK562259
SMILES C[NH+](CCCN1C(c2ccncc2)/C(=C(/c2ccc(cc2)F)\[O-])/C(=O)C1=O)C
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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 C21H22FN3O3 MW 383.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22FN3O3/c1-24(2)12-3-13-25-18(14-8-10-23-11-9-14)17(20(27)21(25)28)19(26)15-4-6-16(22)7-5-15/h4-11,18,26H,3,12-13H2,1-2H3/b19-17+InChIKey
DMBLADHGUYZCDF-HTXNQAPBSA-NSynonyms
(4E)1(3(DIMETHYLAMINO)PROPYL)4((4FLUOROPHENYL)HYDROXYMETHYLIDENE)5PYRIDIN4YLPYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)45dioxo2(pyridin4yl)pyrrolidin3ylidene)(4fluorophenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2PYRIDIN4YLPYRROLIDIN3YLIDENE)(4FLUOROPHENYL)METHANOLATE
C(NH+)(C)CCCN1C(C(=C(C2=CC=C(C=C2)F)(O))C(=O)C1=O)C3=CC=NC=C3
C(NH+)(CCCN1C(c2ccncc2)C(=C(c2ccc(cc2)F)(O))C(=O)C1=O)C
InChI=1SC21H22FN3O3c124(2)123132518(148102311914)17(20(27)21(25)28)19(26)154616(22)7515h4111826H31213H212H3b1917+
MFCD18244007
ZINC000005576782
ZINC000005576822
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