Vitas-M small molecule compound

(2Z)-2-[4-(methoxycarbonyl)benzylidene]-7-[(3-methylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK856368
SMILES COC(=O)c1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CCCC(C1)C)[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 C24H25NO5 MW 407.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25NO5/c1-15-4-3-11-25(13-15)14-19-20(26)10-9-18-22(27)21(30-23(18)19)12-16-5-7-17(8-6-16)24(28)29-2/h5-10,12,15,26H,3-4,11,13-14H2,1-2H3/b21-12-
InChIKey
YYGORXICUBVULP-MTJSOVHGSA-N
Synonyms
869077-97-4
(2Z)2(4(methoxycarbonyl)benzylidene)7((3methylpiperidinium1yl)methyl)3oxo23dihydro1benzofuran6olate
869077974
CC1CCCN(C1)CC2=C(C=CC3=C2OC(=CC4=CC=C(C=C4)C(=O)OC)C3=O)O
COC(=O)c1ccc(cc1)C=C1Oc2c(C1=O)ccc(c2C(NH+)1CCCC(C1)C)(O)
InChI=1SC24H25NO5c115431125(1315)141920(26)1091822(27)21(3023(18)19)12165717(8616)24(28)292h510121526H34111314H212H3b2112
methyl4((Z)(6hydroxy7((3methylpiperidin1yl)methyl)3oxo1benzofuran2ylidene)methyl)benzoate
MFCD06405766
ZINC000013653580
ZINC000013653582

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Available files

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