Vitas-M small molecule compound
(2Z)-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-7-(piperidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK848417
SMILES [O-]c1ccc2c(c1C[NH+]1CCCCC1)O/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 C20H21NO3S MW 355.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO3S/c1-13-7-10-25-18(13)11-17-19(23)14-5-6-16(22)15(20(14)24-17)12-21-8-3-2-4-9-21/h5-7,10-11,22H,2-4,8-9,12H2,1H3/b17-11-InChIKey
IVCHWPHFQIGZAX-BOPFTXTBSA-NSynonyms
899405-92-6(2Z)2((3methylthiophen2yl)methylidene)3oxo7(piperidinium1ylmethyl)23dihydro1benzofuran6olate
(O)c1ccc2c(c1C(NH+)1CCCCC1)OC(=Cc1sccc1C)C2=O
899405926
CC1=C(SC=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCCCC4
InChI=1SC20H21NO3Sc1137102518(13)111719(23)145616(22)15(20(14)2417)12218324921h57101122H248912H21H3b1711
MFCD06608819
ZINC000013540778
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