Vitas-M small molecule compound

(E)-{1-[3-(diethylammonio)propyl]-4,5-dioxo-2-[4-(propan-2-yloxy)phenyl]pyrrolidin-3-ylidene}(4-fluorophenyl)methanolate

Catalog ID
STK563580
SMILES CC[NH+](CCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)F)/[O-])/C1c1ccc(cc1)OC(C)C)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 C27H33FN2O4 MW 468.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33FN2O4/c1-5-29(6-2)16-7-17-30-24(19-10-14-22(15-11-19)34-18(3)4)23(26(32)27(30)33)25(31)20-8-12-21(28)13-9-20/h8-15,18,24,31H,5-7,16-17H2,1-4H3/b25-23+
InChIKey
WFWCXBLUIYJPNS-WJTDDFOZSA-N
Synonyms
614748-05-9
(4E)1(3(DIETHYLAMINO)PROPYL)4((4FLUOROPHENYL)HYDROXYMETHYLIDENE)5(4PROPAN2YLOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(diethylammonio)propyl)45dioxo2(4(propan2yloxy)phenyl)pyrrolidin3ylidene)(4fluorophenyl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXO2(4PROPAN2YLOXYPHENYL)PYRROLIDIN3YLIDENE)(4FLUOROPHENYL)METHANOLATE
1(3(DIETHYLAMINO)PROPYL)4((4FLUOROPHENYL)CARBONYL)3HYDROXY5(4(METHYLETHOXY)PHENYL)3PYRROLIN2ONE
614748059
CC(NH+)(CC)CCCN1C(C(=C(C2=CC=C(C=C2)F)(O))C(=O)C1=O)C3=CC=C(C=C3)OC(C)C
CC(NH+)(CCCN1C(=O)C(=O)C(=C(c2ccc(cc2)F)(O))C1c1ccc(cc1)OC(C)C)CC
InChI=1SC27H33FN2O4c1529(62)167173024(19101422(151119)3418(3)4)23(26(32)27(30)33)25(31)2081221(28)13920h815182431H571617H214H3b2523+
MFCD18244333
ZINC000008920518
ZINC000008983984

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Available files

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