Vitas-M small molecule compound

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

Catalog ID
STK856528
SMILES COc1cc(ccc1OC)/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 C24H27NO5 MW 409.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27NO5/c1-15-5-4-10-25(13-15)14-18-19(26)8-7-17-23(27)22(30-24(17)18)12-16-6-9-20(28-2)21(11-16)29-3/h6-9,11-12,15,26H,4-5,10,13-14H2,1-3H3/b22-12-
InChIKey
HDXWJGFKVFUHGT-UUYOSTAYSA-N
Synonyms
869077-93-0
(2Z)2((34dimethoxyphenyl)methylidene)7((3methylpiperidin1ium1yl)methyl)3oxo1benzofuran6olate
(2Z)2(34dimethoxybenzylidene)7((3methylpiperidinium1yl)methyl)3oxo23dihydro1benzofuran6olate
869077930
CC1CCC(NH+)(C1)CC2=C(C=CC3=C2OC(=CC4=CC(=C(C=C4)OC)OC)C3=O)(O)
COc1cc(ccc1OC)C=C1Oc2c(C1=O)ccc(c2C(NH+)1CCCC(C1)C)(O)
InChI=1SC24H27NO5c115541025(1315)141819(26)871723(27)22(3024(17)18)12166920(282)21(1116)293h6911121526H45101314H213H3b2212
MFCD06405762
ZINC000013653801
ZINC000013653803

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Available files

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