Vitas-M small molecule compound

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

Catalog ID
STK565722
SMILES COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)c1cccc[nH+]1)/[O-]

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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 C22H17N3O4 MW 387.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O4/c1-29-16-9-7-14(8-10-16)20(26)18-19(15-5-4-11-23-13-15)25(22(28)21(18)27)17-6-2-3-12-24-17/h2-13,19,26H,1H3/b20-18+
InChIKey
XPUWOTQFIMLFCU-CZIZESTLSA-N
Synonyms
309726-43-0
(4E)4(HYDROXY(4METHOXYPHENYL)METHYLIDENE)1PYRIDIN2YL5PYRIDIN3YLPYRROLIDINE23DIONE
(E)(45dioxo1(pyridinium2yl)2(pyridin3yl)pyrrolidin3ylidene)(4methoxyphenyl)methanolate
309726430
COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=CC=CC=N3)C4=CN=CC=C4)O
COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccnc1)c1cccc(nH+)1)(O)
InChI=1SC22H17N3O4c129169714(81016)20(26)1819(155411231315)25(22(28)21(18)27)17623122417h2131926H1H3b2018+
MFCD18244855
ZINC000102649182
ZINC000102649184

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Available files

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