Vitas-M small molecule compound
(2Z)-2-[(5-methylfuran-2-yl)methylidene]-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK848185
SMILES CN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1ccc(o1)C)/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/c1-13-3-4-14(25-13)11-18-19(24)15-5-6-17(23)16(20(15)26-18)12-22-9-7-21(2)8-10-22/h3-6,11,23H,7-10,12H2,1-2H3/b18-11-InChIKey
JXEPZOGAOIBSNZ-WQRHYEAKSA-NSynonyms
1178092-55-1(2Z)2((5methylfuran2yl)methylidene)7((4methylpiperazin1ium1yl)methyl)3oxo23dihydro1benzofuran6olate
(2Z)6HYDROXY2((5METHYLFURAN2YL)METHYLIDENE)7((4METHYLPIPERAZIN1YL)METHYL)1BENZOFURAN3ONE
1178092551
6HYDROXY2((5METHYL(2FURYL))METHYLENE)7((4METHYLPIPERAZINYL)METHYL)BENZO(B)FURAN3ONE
CC1=CC=C(O1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCN(CC4)C
CN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1ccc(o1)C)C2=O
InChI=1SC20H22N2O4c1133414(2513)111819(24)155617(23)16(20(15)2618)12229721(2)81022h361123H71012H212H3b1811
MFCD06591579
ZINC000020503229
ZINC20503229
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