Vitas-M small molecule compound

(E)-{1-[4-(dimethylammonio)phenyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}(phenyl)methanolate

Catalog ID
STK588964
SMILES [O-]/C(=C\1/C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])c1ccc(cc1)[NH+](C)C)/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 C25H21N3O5 MW 443.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O5/c1-26(2)18-11-13-19(14-12-18)27-22(17-9-6-10-20(15-17)28(32)33)21(24(30)25(27)31)23(29)16-7-4-3-5-8-16/h3-15,22,29H,1-2H3/b23-21+
InChIKey
AVTQXXNUBIFVNP-XTQSDGFTSA-N
Synonyms
499118-60-4
(4E)1(4DIMETHYLAMINOPHENYL)4(HYDROXY(PHENYL)METHYLIDENE)5(3NITROPHENYL)PYRROLIDINE23DIONE
(E)(1(4(dimethylammonio)phenyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)(phenyl)methanolate
(E)(1(4(dimethylazaniumyl)phenyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)phenylmethanolate
(O)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))c1ccc(cc1)(NH+)(C)C)c1ccccc1
499118604
C(NH+)(C)C1=CC=C(C=C1)N2C(C(=C(C3=CC=CC=C3)(O))C(=O)C2=O)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC25H21N3O5c126(2)18111319(141218)2722(17961020(1517)28(32)33)21(24(30)25(27)31)23(29)167435816h3152229H12H3b2321+
MFCD07198430
ZINC000102604340
ZINC000102604344

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Available files

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