Vitas-M small molecule compound
(2Z)-2-[(5-bromo-1-benzofuran-2-yl)methylidene]-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK625678
SMILES CCN1CC[NH+](CC1)Cc1c([O-])cc(c2c1O/C(=C\c1cc3c(o1)ccc(c3)Br)/C2=O)C
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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 C25H25BrN2O4 MW 497.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25BrN2O4/c1-3-27-6-8-28(9-7-27)14-19-20(29)10-15(2)23-24(30)22(32-25(19)23)13-18-12-16-11-17(26)4-5-21(16)31-18/h4-5,10-13,29H,3,6-9,14H2,1-2H3/b22-13-InChIKey
ZPTTZVDFQSGWPS-XKZIYDEJSA-NSynonyms
951945-11-2(2Z)2((5bromo1benzofuran2yl)methylidene)7((4ethylpiperazin1ium1yl)methyl)4methyl3oxo23dihydro1benzofuran6olate
(2Z)2((5bromo1benzofuran2yl)methylidene)7((4ethylpiperazin1yl)methyl)6hydroxy4methyl1benzofuran3one
2((5BROMOBENZO(D)FURAN2YL)METHYLENE)7((4ETHYLPIPERAZINYL)METHYL)6HYDROXY4METHYLBENZO(B)FURAN3ONE
CCN1CC(NH+)(CC1)Cc1c((O))cc(c2c1OC(=Cc1cc3c(o1)ccc(c3)Br)C2=O)C
CCN1CCN(CC1)CC2=C(C=C(C3=C2OC(=CC4=CC5=C(O4)C=CC(=C5)Br)C3=O)C)O
InChI=1SC25H25BrN2O4c13276828(9727)141920(29)1015(2)2324(30)22(3225(19)23)131812161117(26)4521(16)3118h45101329H36914H212H3b2213
MFCD09854825
ZINC000022935605
ZINC22935605
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