Vitas-M small molecule compound
(2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-(furan-2-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK848139
SMILES CCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1ccco1)/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 C20H22N2O4 MW 354.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O4/c1-2-21-7-9-22(10-8-21)13-16-17(23)6-5-15-19(24)18(26-20(15)16)12-14-4-3-11-25-14/h3-6,11-12,23H,2,7-10,13H2,1H3/b18-12-InChIKey
JWYDIWHPMPBLOA-PDGQHHTCSA-NSynonyms
896078-40-3(2Z)7((4ethylpiperazin1ium1yl)methyl)2(furan2ylmethylidene)3oxo23dihydro1benzofuran6olate
(2Z)7((4ETHYLPIPERAZIN1YL)METHYL)2(FURAN2YLMETHYLIDENE)6HYDROXY1BENZOFURAN3ONE
7((4ETHYLPIPERAZINYL)METHYL)2(2FURYLMETHYLENE)6HYDROXYBENZO(B)FURAN3ONE
896078403
CCN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1ccco1)C2=O
CCN1CCN(CC1)CC2=C(C=CC3=C2OC(=CC4=CC=CO4)C3=O)O
InChI=1SC20H22N2O4c12217922(10821)131617(23)651519(24)18(2620(15)16)121443112514h36111223H271013H21H3b1812
MFCD06593162
ZINC000020503719
ZINC20503719
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