Vitas-M small molecule compound

(2Z)-2-(2,4-dimethoxybenzylidene)-3-oxo-7-(piperidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK856360
SMILES COc1cc(OC)ccc1/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CCCCC1)[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 C23H25NO5 MW 395.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25NO5/c1-27-16-7-6-15(20(13-16)28-2)12-21-22(26)17-8-9-19(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/b21-12-
InChIKey
KHDVPNBTGXEIIJ-MTJSOVHGSA-N
Synonyms
869077-36-1
(2Z)2(24dimethoxybenzylidene)3oxo7(piperidinium1ylmethyl)23dihydro1benzofuran6olate
869077361
COC1=CC(=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCCCC4)OC
COc1cc(OC)ccc1C=C1Oc2c(C1=O)ccc(c2C(NH+)1CCCCC1)(O)
InChI=1SC23H25NO5c127167615(20(1316)282)122122(26)178919(25)18(23(17)2921)1424104351124h69121325H35101114H212H3b2112
MFCD06405746
ZINC000020624389

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Available files

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