Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-2-(4-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene}[2-methyl-4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STK565736
SMILES CC(COc1ccc(c(c1)C)/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 C27H33FN2O4 MW 468.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33FN2O4/c1-17(2)16-34-21-11-12-22(18(3)15-21)25(31)23-24(19-7-9-20(28)10-8-19)30(27(33)26(23)32)14-6-13-29(4)5/h7-12,15,17,24,31H,6,13-14,16H2,1-5H3/b25-23+InChIKey
OJAWETIVEKGKGR-WJTDDFOZSA-NSynonyms
(4E)1(3(DIMETHYLAMINO)PROPYL)5(4FLUOROPHENYL)4(HYDROXY(2METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)2(4fluorophenyl)45dioxopyrrolidin3ylidene)(2methyl4(2methylpropoxy)phenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4FLUOROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
CC(COc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)F)CCC(NH+)(C)C)(O))C
CC1=C(C=CC(=C1)OCC(C)C)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC=C(C=C3)F)O
InChI=1SC27H33FN2O4c117(2)163421111222(18(3)1521)25(31)2324(197920(28)10819)30(27(33)26(23)32)1461329(4)5h71215172431H6131416H215H3b2523+
MFCD18244858
ZINC000102169005
ZINC000102169010
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.