Vitas-M small molecule compound
(E)-[2-(3-nitrophenyl)-4,5-dioxo-1-(pyridinium-3-yl)pyrrolidin-3-ylidene](phenyl)methanolate
Catalog ID
STK563780
SMILES [O-]/C(=C/1\C(c2cccc(c2)[N+](=O)[O-])N(C(=O)C1=O)c1ccc[nH+]c1)/c1ccccc1
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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 C22H15N3O5 MW 401.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15N3O5/c26-20(14-6-2-1-3-7-14)18-19(15-8-4-9-16(12-15)25(29)30)24(22(28)21(18)27)17-10-5-11-23-13-17/h1-13,19,26H/b20-18+InChIKey
JPXBJDFNPMAQJM-CZIZESTLSA-NSynonyms
371211-96-0(4E)4(HYDROXY(PHENYL)METHYLIDENE)5(3NITROPHENYL)1PYRIDIN3YLPYRROLIDINE23DIONE
(E)(2(3nitrophenyl)45dioxo1(pyridinium3yl)pyrrolidin3ylidene)(phenyl)methanolate
(O)C(=C1C(c2cccc(c2)(N+)(=O)(O))N(C(=O)C1=O)c1ccc(nH+)c1)c1ccccc1
371211960
C1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=CN=CC=C3)C4=CC(=CC=C4)(N+)(=O)(O))O
InChI=1SC22H15N3O5c2620(146213714)1819(1584916(1215)25(29)30)24(22(28)21(18)27)1710511231317h1131926Hb2018+
MFCD18244384
ZINC000102523337
ZINC000102523346
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