Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STL054597
SMILES COc1cc(cc(c1OC)OC)C1N(CCC[NH+](CC)CC)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/[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 C29H36N2O8 MW 540.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36N2O8/c1-6-30(7-2)11-8-12-31-25(19-16-22(35-3)28(37-5)23(17-19)36-4)24(27(33)29(31)34)26(32)18-9-10-20-21(15-18)39-14-13-38-20/h9-10,15-17,25,32H,6-8,11-14H2,1-5H3/b26-24+InChIKey
CLGUMAXMFDUUOF-SHHOIMCASA-NSynonyms
618856-63-6(4E)1(3(DIETHYLAMINO)PROPYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(345TRIMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(diethylammonio)propyl)45dioxo2(345trimethoxyphenyl)pyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXO2(345TRIMETHOXYPHENYL)PYRROLIDIN3YLIDENE)(23DIHYDRO14BENZODIOXIN6YL)METHANOLATE
618856636
CC(NH+)(CC)CCCN1C(C(=C(C2=CC3=C(C=C2)OCCO3)(O))C(=O)C1=O)C4=CC(=C(C(=C4)OC)OC)OC
COc1cc(cc(c1OC)OC)C1N(CCC(NH+)(CC)CC)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)(O)
InChI=1SC29H36N2O8c1630(72)118123125(191622(353)28(375)23(1719)364)24(27(33)29(31)34)26(32)189102021(1518)3914133820h91015172532H681114H215H3b2624+
MFCD18249614
ZINC000102893337
ZINC000102893339
Check stock
See real-time availability and sample size for STL054597 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.