Vitas-M small molecule compound
(E)-(4-chlorophenyl){1-[4-(dimethylammonio)phenyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK585041
SMILES Clc1ccc(cc1)/C(=C\1/C(c2cccc(c2)[N+](=O)[O-])N(C(=O)C1=O)c1ccc(cc1)[NH+](C)C)/[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 C25H20ClN3O5 MW 477.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClN3O5/c1-27(2)18-10-12-19(13-11-18)28-22(16-4-3-5-20(14-16)29(33)34)21(24(31)25(28)32)23(30)15-6-8-17(26)9-7-15/h3-14,22,30H,1-2H3/b23-21+InChIKey
KQMFCLOSQKOUCS-XTQSDGFTSA-NSynonyms
488714-79-0(4E)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)1(4DIMETHYLAMINOPHENYL)5(3NITROPHENYL)PYRROLIDINE23DIONE
(E)(4chlorophenyl)(1(4(dimethylammonio)phenyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4chlorophenyl)(1(4(dimethylazaniumyl)phenyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)methanolate
488714790
C(NH+)(C)C1=CC=C(C=C1)N2C(C(=C(C3=CC=C(C=C3)Cl)(O))C(=O)C2=O)C4=CC(=CC=C4)(N+)(=O)(O)
Clc1ccc(cc1)C(=C1C(c2cccc(c2)(N+)(=O)(O))N(C(=O)C1=O)c1ccc(cc1)(NH+)(C)C)(O)
InChI=1SC25H20ClN3O5c127(2)18101219(131118)2822(1643520(1416)29(33)34)21(24(31)25(28)32)23(30)156817(26)9715h3142230H12H3b2321+
MFCD07205897
ZINC000102598007
ZINC000102598014
Check stock
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Check stock on Vitas-MAvailable files
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