Vitas-M small molecule compound
(E)-{2-(3-bromophenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}[3-methyl-4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STL045046
SMILES CC(COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Br)CCC[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 C27H33BrN2O4 MW 529.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33BrN2O4/c1-17(2)16-34-22-11-10-20(14-18(22)3)25(31)23-24(19-8-6-9-21(28)15-19)30(27(33)26(23)32)13-7-12-29(4)5/h6,8-11,14-15,17,24,31H,7,12-13,16H2,1-5H3/b25-23+InChIKey
MLRSETGDZFJSLE-WJTDDFOZSA-NSynonyms
496771-78-9(4E)5(3BROMOPHENYL)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(3METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(3bromophenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(3methyl4(2methylpropoxy)phenyl)methanolate
(E)(2(3BROMOPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
496771789
CC(COc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Br)CCC(NH+)(C)C)(O))C
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=CC(=CC=C3)Br)(O))OCC(C)C
InChI=1SC27H33BrN2O4c117(2)163422111020(1418(22)3)25(31)2324(1986921(28)1519)30(27(33)26(23)32)1371229(4)5h68111415172431H7121316H215H3b2523+
MFCD18248549
ZINC000102175409
ZINC000102175417
Check stock
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Check stock on Vitas-MAvailable files
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