Vitas-M small molecule compound
(E)-[1-(5-bromopyridinium-2-yl)-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene](4-chlorophenyl)methanolate
Catalog ID
STL149637
SMILES Clc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])c1ccc(c[nH+]1)Br)/[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 C22H13BrClN3O5 MW 514.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H13BrClN3O5/c23-14-6-9-17(25-11-14)26-19(13-2-1-3-16(10-13)27(31)32)18(21(29)22(26)30)20(28)12-4-7-15(24)8-5-12/h1-11,19,28H/b20-18+InChIKey
PFKLJEKUFRRYAV-CZIZESTLSA-NSynonyms
339255-78-6(4E)1(5BROMOPYRIDIN2YL)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)5(3NITROPHENYL)PYRROLIDINE23DIONE
(E)(1(5bromopyridinium2yl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)(4chlorophenyl)methanolate
339255786
C1=CC(=CC(=C1)(N+)(=O)(O))C2C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C(=O)N2C4=NC=C(C=C4)Br
Clc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))c1ccc(c(nH+)1)Br)(O)
InChI=1SC22H13BrClN3O5c23146917(251114)2619(1321316(1013)27(31)32)18(21(29)22(26)30)20(28)124715(24)8512h1111928Hb2018+
MFCD20755642
ZINC000102929499
ZINC000102929501
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