Vitas-M small molecule compound

(E)-(4-bromophenyl){1-[2-(diethylammonio)ethyl]-2-(2-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate

Catalog ID
STK559082
SMILES CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)Br)/[O-])/C1c1ccccc1F)CC

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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 C23H24BrFN2O3 MW 475.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24BrFN2O3/c1-3-26(4-2)13-14-27-20(17-7-5-6-8-18(17)25)19(22(29)23(27)30)21(28)15-9-11-16(24)12-10-15/h5-12,20,28H,3-4,13-14H2,1-2H3/b21-19+
InChIKey
YKVCMEAACWMUMY-XUTLUUPISA-N
Synonyms
332022-87-4
(4E)4((4BROMOPHENYL)HYDROXYMETHYLIDENE)1(2DIETHYLAMINOETHYL)5(2FLUOROPHENYL)PYRROLIDINE23DIONE
(E)(4bromophenyl)(1(2(diethylammonio)ethyl)2(2fluorophenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4BROMOPHENYL)(1(2(DIETHYLAZANIUMYL)ETHYL)2(2FLUOROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
1(2(DIETHYLAMINO)ETHYL)4((4BROMOPHENYL)CARBONYL)5(2FLUOROPHENYL)3HYDROXY3PYRROLIN2ONE
332022874
CC(NH+)(CC)CCN1C(C(=C(C2=CC=C(C=C2)Br)(O))C(=O)C1=O)C3=CC=CC=C3F
CC(NH+)(CCN1C(=O)C(=O)C(=C(c2ccc(cc2)Br)(O))C1c1ccccc1F)CC
InChI=1SC23H24BrFN2O3c1326(42)13142720(17756818(17)25)19(22(29)23(27)30)21(28)1591116(24)121015h5122028H341314H212H3b2119+
MFCD02160583
ZINC000009270671
ZINC000009270673

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Available files

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