Vitas-M small molecule compound
(E)-{2-(3-bromophenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}[4-(prop-2-en-1-yloxy)phenyl]methanolate
Catalog ID
STL038101
SMILES C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Br)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 C25H27BrN2O4 MW 499.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27BrN2O4/c1-4-15-32-20-11-9-17(10-12-20)23(29)21-22(18-7-5-8-19(26)16-18)28(25(31)24(21)30)14-6-13-27(2)3/h4-5,7-12,16,22,29H,1,6,13-15H2,2-3H3/b23-21+InChIKey
SCCUFAJCEZHUFP-XTQSDGFTSA-NSynonyms
615271-55-1(4E)5(3BROMOPHENYL)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(4PROP2ENOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(3bromophenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(4(prop2en1yloxy)phenyl)methanolate
(E)(2(3BROMOPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(4PROP2ENOXYPHENYL)METHANOLATE
1(3(DIMETHYLAMINO)PROPYL)5(3BROMOPHENYL)3HYDROXY4((4PROP2ENYLOXYPHENYL)CARBONYL)3PYRROLIN2ONE
615271551
C(NH+)(C)CCCN1C(C(=C(C2=CC=C(C=C2)OCC=C)(O))C(=O)C1=O)C3=CC(=CC=C3)Br
C=CCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Br)CCC(NH+)(C)C)(O)
InChI=1SC25H27BrN2O4c1415322011917(101220)23(29)2122(1875819(26)1618)28(25(31)24(21)30)1461327(2)3h45712162229H161315H223H3b2321+
MFCD18247557
ZINC000008905061
ZINC000008905064
Check stock
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Check stock on Vitas-MAvailable files
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