Vitas-M small molecule compound
(2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK852358
SMILES CCN1CC[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 C21H24N2O4 MW 368.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O4/c1-3-22-8-10-23(11-9-22)13-17-18(24)7-6-16-20(25)19(27-21(16)17)12-15-5-4-14(2)26-15/h4-7,12,24H,3,8-11,13H2,1-2H3/b19-12-InChIKey
NYCNGQODCNTVOE-UNOMPAQXSA-NSynonyms
896076-28-1(2Z)7((4ethylpiperazin1ium1yl)methyl)2((5methylfuran2yl)methylidene)3oxo1benzofuran6olate
(2Z)7((4ethylpiperazin1ium1yl)methyl)2((5methylfuran2yl)methylidene)3oxo23dihydro1benzofuran6olate
(2Z)7((4ETHYLPIPERAZIN1YL)METHYL)6HYDROXY2((5METHYLFURAN2YL)METHYLIDENE)1BENZOFURAN3ONE
7((4ETHYLPIPERAZINYL)METHYL)6HYDROXY2((5METHYL(2FURYL))METHYLENE)BENZO(B)FURAN3ONE
896076281
CCN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1ccc(o1)C)C2=O
CCN1CC(NH+)(CC1)CC2=C(C=CC3=C2OC(=CC4=CC=C(O4)C)C3=O)(O)
InChI=1SC21H24N2O4c132281023(11922)131718(24)761620(25)19(2721(16)17)12155414(2)2615h471224H381113H212H3b1912
MFCD06592561
ZINC000022859940
ZINC22859940
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