Vitas-M small molecule compound
(E)-{2-(4-bromophenyl)-1-[3-(diethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL148142
SMILES CC[NH+](CCCN1C(c2ccc(cc2)Br)/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C1=O)CC
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 C27H31BrN2O4 MW 527.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31BrN2O4/c1-4-29(5-2)13-6-14-30-24(18-7-10-21(28)11-8-18)23(26(32)27(30)33)25(31)19-9-12-22-20(16-19)15-17(3)34-22/h7-12,16-17,24,31H,4-6,13-15H2,1-3H3/b25-23+InChIKey
DGPNYCBECXATES-WJTDDFOZSA-NSynonyms
578735-31-6(4E)5(4BROMOPHENYL)1(3(DIETHYLAMINO)PROPYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(4bromophenyl)1(3(diethylammonio)propyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(2(4BROMOPHENYL)1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
578735316
CC(NH+)(CC)CCCN1C(C(=C(C2=CC3=C(C=C2)OC(C3)C)(O))C(=O)C1=O)C4=CC=C(C=C4)Br
CC(NH+)(CCCN1C(c2ccc(cc2)Br)C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C1=O)CC
InChI=1SC27H31BrN2O4c1429(52)136143024(1871021(28)11818)23(26(32)27(30)33)25(31)199122220(1619)1517(3)3422h71216172431H461315H213H3b2523+
MFCD20755333
ZINC000009311978
ZINC000009312965
Check stock
See real-time availability and sample size for STL148142 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.