Vitas-M small molecule compound
(E)-{2-(4-bromophenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}[4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STL040807
SMILES CC(COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Br)CC[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 C25H29BrN2O4 MW 501.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29BrN2O4/c1-16(2)15-32-20-11-7-18(8-12-20)23(29)21-22(17-5-9-19(26)10-6-17)28(14-13-27(3)4)25(31)24(21)30/h5-12,16,22,29H,13-15H2,1-4H3/b23-21+InChIKey
PVRNYPKOKSCDHL-XTQSDGFTSA-NSynonyms
(4E)5(4BROMOPHENYL)1(2DIMETHYLAMINOETHYL)4(HYDROXY(4(2METHYLPROPOXY)PHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(4bromophenyl)1(2(dimethylammonio)ethyl)45dioxopyrrolidin3ylidene)(4(2methylpropoxy)phenyl)methanolate
(E)(2(4BROMOPHENYL)1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(4(2METHYLPROPOXY)PHENYL)METHANOLATE
842974634
CC(C)COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)(C)C)C3=CC=C(C=C3)Br)(O)
CC(COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)Br)CC(NH+)(C)C)(O))C
InChI=1SC25H29BrN2O4c116(2)15322011718(81220)23(29)2122(175919(26)10617)28(141327(3)4)25(31)24(21)30h512162229H1315H214H3b2321+
MFCD18248062
ZINC000102169746
ZINC000102169752
Check stock
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Check stock on Vitas-MAvailable files
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