Vitas-M small molecule compound
(E)-(4-bromophenyl){1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(3-propoxyphenyl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STK562043
SMILES CCCOc1cccc(c1)C1/C(=C(/c2ccc(cc2)Br)\[O-])/C(=O)C(=O)N1CCC[NH+](C)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/c1-4-15-32-20-8-5-7-18(16-20)22-21(23(29)17-9-11-19(26)12-10-17)24(30)25(31)28(22)14-6-13-27(2)3/h5,7-12,16,22,29H,4,6,13-15H2,1-3H3/b23-21+InChIKey
RMYCTNOUQIZNDH-XTQSDGFTSA-NSynonyms
585550-86-3(4E)4((4BROMOPHENYL)HYDROXYMETHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)5(3PROPOXYPHENYL)PYRROLIDINE23DIONE
(E)(4bromophenyl)(1(3(dimethylammonio)propyl)45dioxo2(3propoxyphenyl)pyrrolidin3ylidene)methanolate
(E)(4BROMOPHENYL)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2(3PROPOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
1(3(DIMETHYLAMINO)PROPYL)4((4BROMOPHENYL)CARBONYL)3HYDROXY5(3PROPOXYPHENYL)3PYRROLIN2ONE
585550863
CCCOC1=CC=CC(=C1)C2C(=C(C3=CC=C(C=C3)Br)O)C(=O)C(=O)N2CCCN(C)C
CCCOc1cccc(c1)C1C(=C(c2ccc(cc2)Br)(O))C(=O)C(=O)N1CCC(NH+)(C)C
InChI=1SC25H29BrN2O4c1415322085718(1620)2221(23(29)1791119(26)121017)24(30)25(31)28(22)1461327(2)3h5712162229H461315H213H3b2321+
MFCD18243954
ZINC000102509244
ZINC000102509250
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.