Vitas-M small molecule compound
(E)-{2-(3,4-dichlorophenyl)-1-[3-(diethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STL051219
SMILES CC[NH+](CCCN1C(c2ccc(c(c2)Cl)Cl)/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C1=O)CC
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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 C26H28Cl2N2O5 MW 519.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28Cl2N2O5/c1-3-29(4-2)10-5-11-30-23(16-6-8-18(27)19(28)14-16)22(25(32)26(30)33)24(31)17-7-9-20-21(15-17)35-13-12-34-20/h6-9,14-15,23,31H,3-5,10-13H2,1-2H3/b24-22+InChIKey
PKZZEUSPYXBUEL-ZNTNEXAZSA-NSynonyms
618856-57-8(4E)5(34DICHLOROPHENYL)1(3(DIETHYLAMINO)PROPYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(34dichlorophenyl)1(3(diethylammonio)propyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)(2(34DICHLOROPHENYL)1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(23DIHYDRO14BENZODIOXIN6YL)METHANOLATE
618856578
CC(NH+)(CC)CCCN1C(C(=C(C2=CC3=C(C=C2)OCCO3)(O))C(=O)C1=O)C4=CC(=C(C=C4)Cl)Cl
CC(NH+)(CCCN1C(c2ccc(c(c2)Cl)Cl)C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C1=O)CC
InChI=1SC26H28Cl2N2O5c1329(42)105113023(166818(27)19(28)1416)22(25(32)26(30)33)24(31)17792021(1517)3513123420h6914152331H351013H212H3b2422+
MFCD18249380
ZINC000102888398
ZINC000102888400
Check stock
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Check stock on Vitas-MAvailable files
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