Vitas-M small molecule compound

(E)-{1-[2-(dimethylammonio)ethyl]-2-(furan-2-yl)-4,5-dioxopyrrolidin-3-ylidene}(4-fluorophenyl)methanolate

Catalog ID
STK562156
SMILES Fc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccco1)CC[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 C19H19FN2O4 MW 358.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19FN2O4/c1-21(2)9-10-22-16(14-4-3-11-26-14)15(18(24)19(22)25)17(23)12-5-7-13(20)8-6-12/h3-8,11,16,23H,9-10H2,1-2H3/b17-15+
InChIKey
OWKPLIOSYLPVBE-BMRADRMJSA-N
Synonyms
380880-06-8
(4E)1(2(dimethylamino)ethyl)4((4fluorophenyl)hydroxymethylidene)5(furan2yl)pyrrolidine23dione
(4E)1(2DIMETHYLAMINOETHYL)4((4FLUOROPHENYL)HYDROXYMETHYLIDENE)5(FURAN2YL)PYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)2(furan2yl)45dioxopyrrolidin3ylidene)(4fluorophenyl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(FURAN2YL)45DIOXOPYRROLIDIN3YLIDENE)(4FLUOROPHENYL)METHANOLATE
380880068
CN(C)CCN1C(C(=C(C2=CC=C(C=C2)F)O)C(=O)C1=O)C3=CC=CO3
Fc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccco1)CC(NH+)(C)C)(O)
InChI=1SC19H19FN2O4c121(2)9102216(1443112614)15(18(24)19(22)25)17(23)125713(20)8612h38111623H910H212H3b1715+
MFCD18243976
ZINC000005576866
ZINC000005576915

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Available files

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