Vitas-M small molecule compound
(E)-{2-(3-bromophenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(4-butoxy-3-methylphenyl)methanolate
Catalog ID
STK564959
SMILES CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Br)CC[NH+](C)C)/[O-]
Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.
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/c1-5-6-14-33-21-11-10-19(15-17(21)2)24(30)22-23(18-8-7-9-20(27)16-18)29(13-12-28(3)4)26(32)25(22)31/h7-11,15-16,23,30H,5-6,12-14H2,1-4H3/b24-22+InChIKey
KXKPFLVJYGCDGJ-ZNTNEXAZSA-NSynonyms
498569-73-6(4E)5(3bromophenyl)4((4butoxy3methylphenyl)hydroxymethylidene)1(2(dimethylamino)ethyl)pyrrolidine23dione
(4E)5(3BROMOPHENYL)4((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)1(2DIMETHYLAMINOETHYL)PYRROLIDINE23DIONE
(E)(2(3bromophenyl)1(2(dimethylammonio)ethyl)45dioxopyrrolidin3ylidene)(4butoxy3methylphenyl)methanolate
(E)(2(3BROMOPHENYL)1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(4BUTOXY3METHYLPHENYL)METHANOLATE
498569736
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC(=CC=C3)Br)O)C
CCCCOc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Br)CC(NH+)(C)C)(O)
InChI=1SC26H31BrN2O4c156143321111019(1517(21)2)24(30)2223(1887920(27)1618)29(131228(3)4)26(32)25(22)31h71115162330H561214H214H3b2422+
MFCD18244655
ZINC000102531625
ZINC000102531632
Check stock
See real-time availability and sample size for STK564959 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.