Vitas-M small molecule compound
(E)-{2-(4-bromophenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(4-butoxy-3-methylphenyl)methanolate
Catalog ID
STK559974
SMILES CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Br)CC[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 C26H31BrN2O4 MW 515.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31BrN2O4/c1-5-6-15-33-21-12-9-19(16-17(21)2)24(30)22-23(18-7-10-20(27)11-8-18)29(14-13-28(3)4)26(32)25(22)31/h7-12,16,23,30H,5-6,13-15H2,1-4H3/b24-22+InChIKey
KORCUPYEGQORGU-ZNTNEXAZSA-NSynonyms
487031-80-1(4E)5(4bromophenyl)4((4butoxy3methylphenyl)hydroxymethylidene)1(2(dimethylamino)ethyl)pyrrolidine23dione
(4E)5(4BROMOPHENYL)4((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)1(2DIMETHYLAMINOETHYL)PYRROLIDINE23DIONE
(E)(2(4bromophenyl)1(2(dimethylammonio)ethyl)45dioxopyrrolidin3ylidene)(4butoxy3methylphenyl)methanolate
(E)(2(4BROMOPHENYL)1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(4BUTOXY3METHYLPHENYL)METHANOLATE
487031801
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC=C(C=C3)Br)O)C
CCCCOc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)Br)CC(NH+)(C)C)(O)
InChI=1SC26H31BrN2O4c15615332112919(1617(21)2)24(30)2223(1871020(27)11818)29(141328(3)4)26(32)25(22)31h712162330H561315H214H3b2422+
MFCD18243416
ZINC000102491932
ZINC000102491940
Check stock
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Check stock on Vitas-MAvailable files
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