Vitas-M small molecule compound

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

Catalog ID
STK855984
SMILES COC(=O)c1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CCCCC1C)[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/c1-15-5-3-4-12-25(15)14-19-20(26)11-10-18-22(27)21(30-23(18)19)13-16-6-8-17(9-7-16)24(28)29-2/h6-11,13,15,26H,3-5,12,14H2,1-2H3/b21-13-
InChIKey
GGSMOFWEZDPHKD-BKUYFWCQSA-N
Synonyms
869077-49-6
(2Z)2((4methoxycarbonylphenyl)methylidene)7((2methylpiperidin1ium1yl)methyl)3oxo1benzofuran6olate
(2Z)2(4(methoxycarbonyl)benzylidene)7((2methylpiperidinium1yl)methyl)3oxo23dihydro1benzofuran6olate
869077496
CC1CCCC(NH+)1CC2=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+)1CCCCC1C)(O)
InChI=1SC24H25NO5c1155341225(15)141920(26)11101822(27)21(3023(18)19)13166817(9716)24(28)292h611131526H351214H212H3b2113
MFCD06405759
ZINC000013653820
ZINC000013653822

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Available files

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