Vitas-M small molecule compound

(E)-[1-(5-bromopyridinium-2-yl)-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene](phenyl)methanolate

Catalog ID
STK561543
SMILES Brc1ccc([nH+]c1)N1C(=O)C(=O)/C(=C(\c2ccccc2)/[O-])/C1c1cccc(c1)[N+](=O)[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 C22H14BrN3O5 MW 480.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14BrN3O5/c23-15-9-10-17(24-12-15)25-19(14-7-4-8-16(11-14)26(30)31)18(21(28)22(25)29)20(27)13-5-2-1-3-6-13/h1-12,19,27H/b20-18+
InChIKey
PGVZQTSFWYDKJQ-CZIZESTLSA-N
Synonyms
296769-89-6
(4E)1(5BROMOPYRIDIN2YL)4(HYDROXY(PHENYL)METHYLIDENE)5(3NITROPHENYL)PYRROLIDINE23DIONE
(E)(1(5bromopyridinium2yl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)(phenyl)methanolate
296769896
Brc1ccc((nH+)c1)N1C(=O)C(=O)C(=C(c2ccccc2)(O))C1c1cccc(c1)(N+)(=O)(O)
C1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC=C(C=C3)Br)C4=CC(=CC=C4)(N+)(=O)(O))O
InChI=1SC22H14BrN3O5c231591017(241215)2519(1474816(1114)26(30)31)18(21(28)22(25)29)20(27)135213613h1121927Hb2018+
MFCD18243819
ZINC000101057213
ZINC000101057215

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Available files

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