Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-fluorophenyl)methanolate
Catalog ID
STL150688
SMILES C[NH+](CCCN1C(c2cccc(c2)[N+](=O)[O-])/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 C22H22FN3O5 MW 427.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22FN3O5/c1-24(2)11-4-12-25-19(15-5-3-6-17(13-15)26(30)31)18(21(28)22(25)29)20(27)14-7-9-16(23)10-8-14/h3,5-10,13,19,27H,4,11-12H2,1-2H3/b20-18+InChIKey
NMZXEJFIMLISCP-CZIZESTLSA-NSynonyms
(4E)1(3(DIMETHYLAMINO)PROPYL)4((4FLUOROPHENYL)HYDROXYMETHYLIDENE)5(3NITROPHENYL)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)(4fluorophenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(3NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4FLUOROPHENYL)METHANOLATE
1(3(DIMETHYLAMINO)PROPYL)4((4FLUOROPHENYL)CARBONYL)3HYDROXY5(3NITROPHENYL)3PYRROLIN2ONE
C(NH+)(CCCN1C(c2cccc(c2)(N+)(=O)(O))C(=C(c2ccc(cc2)F)(O))C(=O)C1=O)C
CN(C)CCCN1C(C(=C(C2=CC=C(C=C2)F)O)C(=O)C1=O)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC22H22FN3O5c124(2)114122519(1553617(1315)26(30)31)18(21(28)22(25)29)20(27)147916(23)10814h3510131927H41112H212H3b2018+
MFCD20755888
ZINC000008981541
ZINC000008981551
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.