Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-2-(4-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STK567999
SMILES CC[NH+](CCCN1C(c2ccc(cc2)F)/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C1=O)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 C26H29FN2O5 MW 468.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29FN2O5/c1-3-28(4-2)12-5-13-29-23(17-6-9-19(27)10-7-17)22(25(31)26(29)32)24(30)18-8-11-20-21(16-18)34-15-14-33-20/h6-11,16,23,30H,3-5,12-15H2,1-2H3/b24-22+InChIKey
NITWEDCRJWEREE-ZNTNEXAZSA-NSynonyms
(4E)1(3(DIETHYLAMINO)PROPYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(4FLUOROPHENYL)PYRROLIDINE23DIONE
(E)(1(3(diethylammonio)propyl)2(4fluorophenyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)2(4FLUOROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(23DIHYDRO14BENZODIOXIN6YL)METHANOLATE
CC(NH+)(CCCN1C(c2ccc(cc2)F)C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C1=O)CC
CCN(CC)CCCN1C(C(=C(C2=CC3=C(C=C2)OCCO3)O)C(=O)C1=O)C4=CC=C(C=C4)F
InChI=1SC26H29FN2O5c1328(42)125132923(176919(27)10717)22(25(31)26(29)32)24(30)188112021(1618)3415143320h611162330H351215H212H3b2422+
MFCD18245193
ZINC000102550190
ZINC000102550196
Check stock
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Check stock on Vitas-MAvailable files
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