Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-2-(4-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate
Catalog ID
STK560530
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)F)CCC[NH+](C)C)/[O-]
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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 C25H29FN2O4 MW 440.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29FN2O4/c1-4-16-32-20-12-8-18(9-13-20)23(29)21-22(17-6-10-19(26)11-7-17)28(25(31)24(21)30)15-5-14-27(2)3/h6-13,22,29H,4-5,14-16H2,1-3H3/b23-21+InChIKey
BBCVHOHYYAQPGL-XTQSDGFTSA-NSynonyms
615275-92-8(4E)1(3(DIMETHYLAMINO)PROPYL)5(4FLUOROPHENYL)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)2(4fluorophenyl)45dioxopyrrolidin3ylidene)(4propoxyphenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4FLUOROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4PROPOXYPHENYL)METHANOLATE
1(3(DIMETHYLAMINO)PROPYL)5(4FLUOROPHENYL)3HYDROXY4((4PROPOXYPHENYL)CARBONYL)3PYRROLIN2ONE
615275928
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=CC=C(C=C3)F)(O)
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)F)CCC(NH+)(C)C)(O)
InChI=1SC25H29FN2O4c1416322012818(91320)23(29)2122(1761019(26)11717)28(25(31)24(21)30)1551427(2)3h6132229H451416H213H3b2321+
MFCD18243562
ZINC000102496737
ZINC000102496747
Check stock
See real-time availability and sample size for STK560530 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.