Vitas-M small molecule compound

(E)-{1-[3-(diethylammonio)propyl]-2-(4-ethoxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-fluorophenyl)methanolate

Catalog ID
STK565242
SMILES CCOc1ccc(cc1OC)C1/C(=C(/c2ccc(cc2)F)\[O-])/C(=O)C(=O)N1CCC[NH+](CC)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 C27H33FN2O5 MW 484.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33FN2O5/c1-5-29(6-2)15-8-16-30-24(19-11-14-21(35-7-3)22(17-19)34-4)23(26(32)27(30)33)25(31)18-9-12-20(28)13-10-18/h9-14,17,24,31H,5-8,15-16H2,1-4H3/b25-23+
InChIKey
GLOHJNVZCWEPLR-WJTDDFOZSA-N
Synonyms
636990-30-2
(4E)1(3(DIETHYLAMINO)PROPYL)5(4ETHOXY3METHOXYPHENYL)4((4FLUOROPHENYL)HYDROXYMETHYLIDENE)PYRROLIDINE23DIONE
(E)(1(3(diethylammonio)propyl)2(4ethoxy3methoxyphenyl)45dioxopyrrolidin3ylidene)(4fluorophenyl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)2(4ETHOXY3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4FLUOROPHENYL)METHANOLATE
1(3(DIETHYLAMINO)PROPYL)5(4ETHOXY3METHOXYPHENYL)4((4FLUOROPHENYL)CARBONYL)3HYDROXY3PYRROLIN2ONE
636990302
CC(NH+)(CC)CCCN1C(C(=C(C2=CC=C(C=C2)F)(O))C(=O)C1=O)C3=CC(=C(C=C3)OCC)OC
CCOc1ccc(cc1OC)C1C(=C(c2ccc(cc2)F)(O))C(=O)C(=O)N1CCC(NH+)(CC)CC
InChI=1SC27H33FN2O5c1529(62)158163024(19111421(3573)22(1719)344)23(26(32)27(30)33)25(31)1891220(28)131018h914172431H581516H214H3b2523+
MFCD18244727
ZINC000008920876
ZINC000008920880

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Available files

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