Vitas-M small molecule compound

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

Catalog ID
STL040161
SMILES C[NH+](CCCN1C(=O)C(=O)/C(=C(\c2ccccc2)/[O-])/C1c1ccc(cc1)[N+](=O)[O-])C

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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 C22H23N3O5 MW 409.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O5/c1-23(2)13-6-14-24-19(15-9-11-17(12-10-15)25(29)30)18(21(27)22(24)28)20(26)16-7-4-3-5-8-16/h3-5,7-12,19,26H,6,13-14H2,1-2H3/b20-18+
InChIKey
WHLDLSSCVXFUHW-CZIZESTLSA-N
Synonyms

(4E)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(PHENYL)METHYLIDENE)5(4NITROPHENYL)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)2(4nitrophenyl)45dioxopyrrolidin3ylidene)(phenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)PHENYLMETHANOLATE
4BENZOYL1(3(DIMETHYLAMINO)PROPYL)3HYDROXY5(4NITROPHENYL)15DIHYDRO2HPYRROL2ONE
C(NH+)(CCCN1C(=O)C(=O)C(=C(c2ccccc2)(O))C1c1ccc(cc1)(N+)(=O)(O))C
CN(C)CCCN1C(C(=C(C2=CC=CC=C2)O)C(=O)C1=O)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC22H23N3O5c123(2)136142419(1591117(121015)25(29)30)18(21(27)22(24)28)20(26)167435816h357121926H61314H212H3b2018+
MFCD18247966
ZINC000005576791
ZINC000005576830

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Available files

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