Vitas-M small molecule compound

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

Catalog ID
STK562737
SMILES Clc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1F)CC[NH+]1CCOCC1)/[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 C23H22ClFN2O4 MW 444.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClFN2O4/c24-16-7-5-15(6-8-16)21(28)19-20(17-3-1-2-4-18(17)25)27(23(30)22(19)29)10-9-26-11-13-31-14-12-26/h1-8,20,28H,9-14H2/b21-19+
InChIKey
UFPCYUWUGNLQJK-XUTLUUPISA-N
Synonyms
381695-22-3
(4E)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)5(2FLUOROPHENYL)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(4chlorophenyl)(2(2fluorophenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4CHLOROPHENYL)(2(2FLUOROPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
381695223
4((4CHLOROPHENYL)CARBONYL)5(2FLUOROPHENYL)3HYDROXY1(2MORPHOLIN4YLETHYL)3PYRROLIN2ONE
C1COCCN1CCN2C(C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C2=O)C4=CC=CC=C4F
Clc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccccc1F)CC(NH+)1CCOCC1)(O)
InChI=1SC23H22ClFN2O4c24167515(6816)21(28)1920(17312418(17)25)27(23(30)22(19)29)10926111331141226h182028H914H2b2119+
MFCD18244112
ZINC000008919709
ZINC000008919715

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Available files

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