Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STL055895
SMILES COc1ccc(cc1)C1N(CCC[NH+](CC)CC)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/[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 C27H32N2O6 MW 480.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O6/c1-4-28(5-2)13-6-14-29-24(18-7-10-20(33-3)11-8-18)23(26(31)27(29)32)25(30)19-9-12-21-22(17-19)35-16-15-34-21/h7-12,17,24,30H,4-6,13-16H2,1-3H3/b25-23+InChIKey
PVYQRJFKINRYAF-WJTDDFOZSA-NSynonyms
618856-69-2(4E)1(3(DIETHYLAMINO)PROPYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(4METHOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(diethylammonio)propyl)2(4methoxyphenyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)2(4METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(23DIHYDRO14BENZODIOXIN6YL)METHANOLATE
618856692
CC(NH+)(CC)CCCN1C(C(=C(C2=CC3=C(C=C2)OCCO3)(O))C(=O)C1=O)C4=CC=C(C=C4)OC
COc1ccc(cc1)C1N(CCC(NH+)(CC)CC)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)(O)
InChI=1SC27H32N2O6c1428(52)136142924(1871020(333)11818)23(26(31)27(29)32)25(30)199122122(1719)3516153421h712172430H461316H213H3b2523+
MFCD18249708
ZINC000102894870
ZINC000102894871
Check stock
See real-time availability and sample size for STL055895 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.