Vitas-M small molecule compound
(2Z)-2-[(5-bromo-1-benzofuran-2-yl)methylidene]-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK628673
SMILES CCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1cc3c(o1)ccc(c3)Br)/C2=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 C24H23BrN2O4 MW 483.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23BrN2O4/c1-2-26-7-9-27(10-8-26)14-19-20(28)5-4-18-23(29)22(31-24(18)19)13-17-12-15-11-16(25)3-6-21(15)30-17/h3-6,11-13,28H,2,7-10,14H2,1H3/b22-13-InChIKey
NWOUMKFOYHCNFT-XKZIYDEJSA-NSynonyms
951972-98-8(2Z)2((5bromo1benzofuran2yl)methylidene)7((4ethylpiperazin1ium1yl)methyl)3oxo23dihydro1benzofuran6olate
(2Z)2((5bromo1benzofuran2yl)methylidene)7((4ethylpiperazin1yl)methyl)6hydroxy1benzofuran3one
2((5BROMOBENZO(D)FURAN2YL)METHYLENE)7((4ETHYLPIPERAZINYL)METHYL)6HYDROXYBENZO(B)FURAN3ONE
CCN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1cc3c(o1)ccc(c3)Br)C2=O
CCN1CCN(CC1)CC2=C(C=CC3=C2OC(=CC4=CC5=C(O4)C=CC(=C5)Br)C3=O)O
InChI=1SC24H23BrN2O4c12267927(10826)141920(28)541823(29)22(3124(18)19)131712151116(25)3621(15)3017h36111328H271014H21H3b2213
MFCD09858665
ZINC000022936634
ZINC22936634
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