Vitas-M small molecule compound
(2Z)-3-oxo-7-(piperidinium-1-ylmethyl)-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK852813
SMILES [O-]c1ccc2c(c1C[NH+]1CCCCC1)O/C(=C\c1cccs1)/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 C19H19NO3S MW 341.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19NO3S/c21-16-7-6-14-18(22)17(11-13-5-4-10-24-13)23-19(14)15(16)12-20-8-2-1-3-9-20/h4-7,10-11,21H,1-3,8-9,12H2/b17-11-InChIKey
QHBNVFBYHQJLJP-BOPFTXTBSA-NSynonyms
899404-93-4(2Z)3oxo7(piperidin1ium1ylmethyl)2(thiophen2ylmethylidene)1benzofuran6olate
(2Z)3oxo7(piperidinium1ylmethyl)2(thiophen2ylmethylidene)23dihydro1benzofuran6olate
(O)c1ccc2c(c1C(NH+)1CCCCC1)OC(=Cc1cccs1)C2=O
899404934
C1CC(NH+)(CC1)CC2=C(C=CC3=C2OC(=CC4=CC=CS4)C3=O)(O)
InChI=1SC19H19NO3Sc2116761418(22)17(111354102413)2319(14)15(16)12208213920h47101121H138912H2b1711
MFCD06604755
ZINC000002433138
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