Vitas-M small molecule compound

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

Catalog ID
STK562202
SMILES CCOc1ccc(cc1)C1/C(=C(/c2cccc(c2)OC)\[O-])/C(=O)C(=O)N1Cc1ccc[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 C26H24N2O5 MW 444.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N2O5/c1-3-33-20-11-9-18(10-12-20)23-22(24(29)19-7-4-8-21(14-19)32-2)25(30)26(31)28(23)16-17-6-5-13-27-15-17/h4-15,23,29H,3,16H2,1-2H3/b24-22+
InChIKey
LAEYHUIUVXGEIL-ZNTNEXAZSA-N
Synonyms
609312-66-5
(4E)5(4ETHOXYPHENYL)4(HYDROXY(3METHOXYPHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(4ETHOXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(3METHOXYPHENYL)METHANOLATE
(E)(2(4ethoxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(3methoxyphenyl)methanolate
5(4ETHOXYPHENYL)3HYDROXY4((3METHOXYPHENYL)CARBONYL)1(3PYRIDYLMETHYL)3PYRROLIN2ONE
609312665
CCOC1=CC=C(C=C1)C2C(=C(C3=CC(=CC=C3)OC)O)C(=O)C(=O)N2CC4=CN=CC=C4
CCOc1ccc(cc1)C1C(=C(c2cccc(c2)OC)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1
InChI=1SC26H24N2O5c13332011918(101220)2322(24(29)1974821(1419)322)25(30)26(31)28(23)16176513271517h4152329H316H212H3b2422+
MFCD18243986
ZINC000102510458
ZINC000102510468

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Available files

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