Vitas-M small molecule compound
(2Z)-7-{[butyl(methyl)ammonio]methyl}-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK850003
SMILES CCCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccc(o1)C)/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 C20H23NO4 MW 341.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO4/c1-4-5-10-21(3)12-16-17(22)9-8-15-19(23)18(25-20(15)16)11-14-7-6-13(2)24-14/h6-9,11,22H,4-5,10,12H2,1-3H3/b18-11-InChIKey
HHAHMZQUSFDEST-WQRHYEAKSA-NSynonyms
896858-57-4(2Z)7((BUTYL(METHYL)AMINO)METHYL)6HYDROXY2((5METHYLFURAN2YL)METHYLIDENE)1BENZOFURAN3ONE
(2Z)7((butyl(methyl)ammonio)methyl)2((5methylfuran2yl)methylidene)3oxo23dihydro1benzofuran6olate
(2Z)7((butyl(methyl)azaniumyl)methyl)2((5methylfuran2yl)methylidene)3oxo1benzofuran6olate
7((BUTYLMETHYLAMINO)METHYL)6HYDROXY2((5METHYL(2FURYL))METHYLENE)BENZO(B)FURAN3ONE
896858574
CCCC(NH+)(C)CC1=C(C=CC2=C1OC(=CC3=CC=C(O3)C)C2=O)(O)
CCCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1ccc(o1)C)C2=O)C
InChI=1SC20H23NO4c1451021(3)121617(22)981519(23)18(2520(15)16)11147613(2)2414h691122H451012H213H3b1811
MFCD06604077
ZINC000020519092
ZINC20519092
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