Vitas-M small molecule compound
(E)-[2-(4-fluorophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STK567069
SMILES CC(COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)F)Cc1ccc[nH+]c1)/[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 C27H25FN2O4 MW 460.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25FN2O4/c1-17(2)16-34-22-11-7-20(8-12-22)25(31)23-24(19-5-9-21(28)10-6-19)30(27(33)26(23)32)15-18-4-3-13-29-14-18/h3-14,17,24,31H,15-16H2,1-2H3/b25-23+InChIKey
RMFIEGXOPLDEDU-WJTDDFOZSA-NSynonyms
(4E)5(4FLUOROPHENYL)4(HYDROXY(4(2METHYLPROPOXY)PHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(4FLUOROPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4(2METHYLPROPOXY)PHENYL)METHANOLATE
(E)(2(4fluorophenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4(2methylpropoxy)phenyl)methanolate
CC(C)COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC=C(C=C4)F)(O)
CC(COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)F)Cc1ccc(nH+)c1)(O))C
InChI=1SC27H25FN2O4c117(2)16342211720(81222)25(31)2324(195921(28)10619)30(27(33)26(23)32)15184313291418h314172431H1516H212H3b2523+
MFCD18245130
ZINC000102169925
ZINC000102169931
Check stock
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Check stock on Vitas-MAvailable files
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