Vitas-M small molecule compound
(E)-{2-(3-bromophenyl)-1-[3-(diethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STL051952
SMILES CC[NH+](CCCN1C(c2cccc(c2)Br)/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 C26H29BrN2O5 MW 529.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29BrN2O5/c1-3-28(4-2)11-6-12-29-23(17-7-5-8-19(27)15-17)22(25(31)26(29)32)24(30)18-9-10-20-21(16-18)34-14-13-33-20/h5,7-10,15-16,23,30H,3-4,6,11-14H2,1-2H3/b24-22+InChIKey
KVYUEGJYIXCFAV-ZNTNEXAZSA-NSynonyms
618856-55-6(4E)5(3BROMOPHENYL)1(3(DIETHYLAMINO)PROPYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(3bromophenyl)1(3(diethylammonio)propyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)(2(3BROMOPHENYL)1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(23DIHYDRO14BENZODIOXIN6YL)METHANOLATE
618856556
CC(NH+)(CC)CCCN1C(C(=C(C2=CC3=C(C=C2)OCCO3)(O))C(=O)C1=O)C4=CC(=CC=C4)Br
CC(NH+)(CCCN1C(c2cccc(c2)Br)C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C1=O)CC
InChI=1SC26H29BrN2O5c1328(42)116122923(1775819(27)1517)22(25(31)26(29)32)24(30)189102021(1618)3414133320h571015162330H3461114H212H3b2422+
MFCD18249431
ZINC000102889542
ZINC000102889544
Check stock
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Check stock on Vitas-MAvailable files
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