Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-2-(4-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene}[4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STK570774
SMILES CC(COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)F)CCC[NH+](C)C)/[O-])C
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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 C26H31FN2O4 MW 454.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31FN2O4/c1-17(2)16-33-21-12-8-19(9-13-21)24(30)22-23(18-6-10-20(27)11-7-18)29(26(32)25(22)31)15-5-14-28(3)4/h6-13,17,23,30H,5,14-16H2,1-4H3/b24-22+InChIKey
CYILJCNHZDIBQC-ZNTNEXAZSA-NSynonyms
(4E)1(3(DIMETHYLAMINO)PROPYL)5(4FLUOROPHENYL)4(HYDROXY(4(2METHYLPROPOXY)PHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)2(4fluorophenyl)45dioxopyrrolidin3ylidene)(4(2methylpropoxy)phenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4FLUOROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4(2METHYLPROPOXY)PHENYL)METHANOLATE
CC(C)COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=CC=C(C=C3)F)(O)
CC(COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)F)CCC(NH+)(C)C)(O))C
InChI=1SC26H31FN2O4c117(2)16332112819(91321)24(30)2223(1861020(27)11718)29(26(32)25(22)31)1551428(3)4h613172330H51416H214H3b2422+
MFCD18245382
ZINC000102169880
ZINC000102169884
Check stock
See real-time availability and sample size for STK570774 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.