Vitas-M small molecule compound
(2Z)-2-(2,5-dimethoxybenzylidene)-3-oxo-7-(piperidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856712
SMILES COc1ccc(cc1/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CCCCC1)[O-])OC
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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 C23H25NO5 MW 395.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25NO5/c1-27-16-6-9-20(28-2)15(12-16)13-21-22(26)17-7-8-19(25)18(23(17)29-21)14-24-10-4-3-5-11-24/h6-9,12-13,25H,3-5,10-11,14H2,1-2H3/b21-13-InChIKey
QYFOVFXFFOFGHW-BKUYFWCQSA-NSynonyms
869077-37-2(2Z)2((25dimethoxyphenyl)methylidene)3oxo7(piperidin1ium1ylmethyl)1benzofuran6olate
(2Z)2(25dimethoxybenzylidene)3oxo7(piperidinium1ylmethyl)23dihydro1benzofuran6olate
869077372
COC1=CC(=C(C=C1)OC)C=C2C(=O)C3=C(O2)C(=C(C=C3)(O))C(NH+)4CCCCC4
COc1ccc(cc1C=C1Oc2c(C1=O)ccc(c2C(NH+)1CCCCC1)(O))OC
InChI=1SC23H25NO5c127166920(282)15(1216)132122(26)177819(25)18(23(17)2921)1424104351124h69121325H35101114H212H3b2113
MFCD06405747
ZINC000020624779
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