Vitas-M small molecule compound
(2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK850955
SMILES CCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1sccc1C)/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 C21H24N2O3S MW 384.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O3S/c1-3-22-7-9-23(10-8-22)13-16-17(24)5-4-15-20(25)18(26-21(15)16)12-19-14(2)6-11-27-19/h4-6,11-12,24H,3,7-10,13H2,1-2H3/b18-12-InChIKey
CXZABXZCVWFHJP-PDGQHHTCSA-NSynonyms
896854-50-5(2Z)7((4ethylpiperazin1ium1yl)methyl)2((3methylthiophen2yl)methylidene)3oxo1benzofuran6olate
(2Z)7((4ethylpiperazin1ium1yl)methyl)2((3methylthiophen2yl)methylidene)3oxo23dihydro1benzofuran6olate
(2Z)7((4ETHYLPIPERAZIN1YL)METHYL)6HYDROXY2((3METHYLTHIOPHEN2YL)METHYLIDENE)1BENZOFURAN3ONE
7((4ETHYLPIPERAZINYL)METHYL)6HYDROXY2((3METHYL(2THIENYL))METHYLENE)BENZO(B)FURAN3ONE
896854505
CCN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1sccc1C)C2=O
CCN1CC(NH+)(CC1)CC2=C(C=CC3=C2OC(=CC4=C(C=CS4)C)C3=O)(O)
InChI=1SC21H24N2O3Sc13227923(10822)131617(24)541520(25)18(2621(15)16)121914(2)6112719h46111224H371013H212H3b1812
MFCD06603162
ZINC000020518921
ZINC20518921
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