Vitas-M small molecule compound
(2Z)-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK851812
SMILES CN1CC[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 C20H22N2O3S MW 370.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O3S/c1-13-5-10-26-18(13)11-17-19(24)14-3-4-16(23)15(20(14)25-17)12-22-8-6-21(2)7-9-22/h3-5,10-11,23H,6-9,12H2,1-2H3/b17-11-InChIKey
YNXIBXOQTCMEHJ-BOPFTXTBSA-NSynonyms
899385-09-2(2Z)6HYDROXY7((4METHYLPIPERAZIN1YL)METHYL)2((3METHYLTHIOPHEN2YL)METHYLIDENE)1BENZOFURAN3ONE
(2Z)7((4methylpiperazin1ium1yl)methyl)2((3methylthiophen2yl)methylidene)3oxo1benzofuran6olate
(2Z)7((4methylpiperazin1ium1yl)methyl)2((3methylthiophen2yl)methylidene)3oxo23dihydro1benzofuran6olate
6HYDROXY2((3METHYL(2THIENYL))METHYLENE)7((4METHYLPIPERAZINYL)METHYL)BENZO(B)FURAN3ONE
899385092
CC1=C(SC=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)(O))C(NH+)4CCN(CC4)C
CN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1sccc1C)C2=O
InChI=1SC20H22N2O3Sc1135102618(13)111719(24)143416(23)15(20(14)2517)12228621(2)7922h35101123H6912H212H3b1711
MFCD06609592
ZINC000020533341
ZINC20533341
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