Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{2-(4-methoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL048591
SMILES COc1ccc(cc1)C1N(CC[NH+]2CCOCC2)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 C26H28N2O7 MW 480.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O7/c1-32-19-5-2-17(3-6-19)23-22(24(29)18-4-7-20-21(16-18)35-15-14-34-20)25(30)26(31)28(23)9-8-27-10-12-33-13-11-27/h2-7,16,23,29H,8-15H2,1H3/b24-22+InChIKey
ACDCCZUFTXDRNZ-ZNTNEXAZSA-NSynonyms
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(4METHOXYPHENYL)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(2(4methoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)methanolate
(E)23DIHYDRO14BENZODIOXIN6YL(2(4METHOXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
COC1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)(O))C(=O)C(=O)N2CC(NH+)5CCOCC5
COc1ccc(cc1)C1N(CC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)(O)
InChI=1SC26H28N2O7c132195217(3619)2322(24(29)18472021(1618)3515143420)25(30)26(31)28(23)9827101233131127h27162329H815H21H3b2422+
MFCD18249208
ZINC000009375001
ZINC000009375004
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.