Vitas-M small molecule compound

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

Catalog ID
STL039054
SMILES C[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccccc2)/[O-])/C1c1cccc(c1)[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 C21H21N3O5 MW 395.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O5/c1-22(2)11-12-23-18(15-9-6-10-16(13-15)24(28)29)17(20(26)21(23)27)19(25)14-7-4-3-5-8-14/h3-10,13,18,25H,11-12H2,1-2H3/b19-17+
InChIKey
GJXPINHGZJWLEW-HTXNQAPBSA-N
Synonyms
309922-46-1
(4E)1(2DIMETHYLAMINOETHYL)4(HYDROXY(PHENYL)METHYLIDENE)5(3NITROPHENYL)PYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)(phenyl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(3NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)PHENYLMETHANOLATE
1(2(DIMETHYLAMINO)ETHYL)3HYDROXY5(3NITROPHENYL)4(PHENYLCARBONYL)3PYRROLIN2ONE
309922461
C(NH+)(C)CCN1C(C(=C(C2=CC=CC=C2)(O))C(=O)C1=O)C3=CC(=CC=C3)(N+)(=O)(O)
C(NH+)(CCN1C(=O)C(=O)C(=C(c2ccccc2)(O))C1c1cccc(c1)(N+)(=O)(O))C
InChI=1SC21H21N3O5c122(2)11122318(15961016(1315)24(28)29)17(20(26)21(23)27)19(25)147435814h310131825H1112H212H3b1917+
MFCD18247758
ZINC000005445195
ZINC000005445227

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Available files

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