VITAS-M Laboratory logo VITAS‑M Laboratory COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION
Vitas-M small molecule compound

(E)-(3,4-dimethoxyphenyl)[2-(4-fluorophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate

Catalog ID
STL047727
SMILES COc1ccc(cc1OC)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)F)Cc1ccc[nH+]c1)/[O-]

Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.

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 C25H21FN2O5 MW 448.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21FN2O5/c1-32-19-10-7-17(12-20(19)33-2)23(29)21-22(16-5-8-18(26)9-6-16)28(25(31)24(21)30)14-15-4-3-11-27-13-15/h3-13,22,29H,14H2,1-2H3/b23-21+
InChIKey
KFNLQZYDVSAHIT-XTQSDGFTSA-N
Synonyms
850729-21-4
(4E)4((34DIMETHOXYPHENYL)HYDROXYMETHYLIDENE)5(4FLUOROPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(4Z)4((34DIMETHOXYPHENYL)HYDROXYMETHYLIDENE)5(4FLUOROPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(34DIMETHOXYPHENYL)(2(4FLUOROPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)(34dimethoxyphenyl)(2(4fluorophenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
4((34DIMETHOXYPHENYL)CARBONYL)5(4FLUOROPHENYL)3HYDROXY1(3PYRIDYLMETHYL)3PYRROLIN2ONE
850729214
COC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC=C(C=C4)F)(O))OC
COc1ccc(cc1OC)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)F)Cc1ccc(nH+)c1)(O)
InChI=1SC25H21FN2O5c1321910717(1220(19)332)23(29)2122(165818(26)9616)28(25(31)24(21)30)14154311271315h3132229H14H212H3b2321+
MFCD18249122
ZINC000102883114
ZINC000102883115

Check stock

See real-time availability and sample size for STL047727 on the Vitas-M platform.

Check stock on Vitas-M

Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

Download SDF Download MOL 3D structure Download SDS