Vitas-M small molecule compound

(E)-{2-(3,4-diethoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-fluorophenyl)methanolate

Catalog ID
STK564114
SMILES CCOc1cc(ccc1OCC)C1/C(=C(/c2ccc(cc2)F)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1

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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 C27H28FN3O5 MW 493.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28FN3O5/c1-3-35-21-11-8-19(16-22(21)36-4-2)24-23(25(32)18-6-9-20(28)10-7-18)26(33)27(34)31(24)14-5-13-30-15-12-29-17-30/h6-12,15-17,24,32H,3-5,13-14H2,1-2H3/b25-23+
InChIKey
ZNTSVYAKMCMLBZ-WJTDDFOZSA-N
Synonyms
620140-39-8
(4E)5(34DIETHOXYPHENYL)4((4FLUOROPHENYL)HYDROXYMETHYLIDENE)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(2(34diethoxyphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(4fluorophenyl)methanolate
5(34DIETHOXYPHENYL)4((4FLUOROPHENYL)CARBONYL)3HYDROXY1(3IMIDAZOLYLPROPYL)3PYRROLIN2ONE
620140398
CCOC1=C(C=C(C=C1)C2C(=C(C3=CC=C(C=C3)F)O)C(=O)C(=O)N2CCCN4C=CN=C4)OCC
CCOc1cc(ccc1OCC)C1C(=C(c2ccc(cc2)F)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
InChI=1SC27H28FN3O5c13352111819(1622(21)3642)2423(25(32)186920(28)10718)26(33)27(34)31(24)14513301512291730h61215172432H351314H212H3b2523+
MFCD18244464
ZINC000102525913
ZINC000102525920

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Available files

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