Vitas-M small molecule compound

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

Catalog ID
STL037054
SMILES Fc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)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 C19H19FN2O3S MW 374.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19FN2O3S/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
GRTZKZDUGMGSGM-BMRADRMJSA-N
Synonyms

(4E)1(2DIMETHYLAMINOETHYL)4((4FLUOROPHENYL)HYDROXYMETHYLIDENE)5THIOPHEN2YLPYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)(4fluorophenyl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)(4FLUOROPHENYL)METHANOLATE
1(2DIMETHYLAMINOETHYL)4(4FLUOROBENZOYL)3HYDROXY5(THIOPHEN2YL)15DIHYDRO
C(NH+)(C)CCN1C(C(=C(C2=CC=C(C=C2)F)(O))C(=O)C1=O)C3=CC=CS3
Fc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccs1)CC(NH+)(C)C)(O)
InChI=1SC19H19FN2O3Sc121(2)9102216(1443112614)15(18(24)19(22)25)17(23)125713(20)8612h38111623H910H212H3b1715+
MFCD18247352
ZINC000005576869
ZINC000005576918

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Available files

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