Vitas-M small molecule compound

(2Z)-2-(3,4-dimethoxybenzylidene)-7-[(3,5-dimethylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK857183
SMILES COc1cc(ccc1OC)/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CC(C)CC(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 C25H29NO5 MW 423.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO5/c1-15-9-16(2)13-26(12-15)14-19-20(27)7-6-18-24(28)23(31-25(18)19)11-17-5-8-21(29-3)22(10-17)30-4/h5-8,10-11,15-16,27H,9,12-14H2,1-4H3/b23-11-
InChIKey
WWXWGNFWMFEOGA-KSEXSDGBSA-N
Synonyms
929397-60-4
(2Z)2((34dimethoxyphenyl)methylidene)7((35dimethylpiperidin1yl)methyl)6hydroxy1benzofuran3one
(2Z)2(34dimethoxybenzylidene)7((35dimethylpiperidinium1yl)methyl)3oxo23dihydro1benzofuran6olate
929397604
CC1CC(CN(C1)CC2=C(C=CC3=C2OC(=CC4=CC(=C(C=C4)OC)OC)C3=O)O)C
COc1cc(ccc1OC)C=C1Oc2c(C1=O)ccc(c2C(NH+)1CC(C)CC(C1)C)(O)
InChI=1SC25H29NO5c115916(2)1326(1215)141920(27)761824(28)23(3125(18)19)11175821(293)22(1017)304h581011151627H91214H214H3b2311
MFCD09789452
ZINC000013681198
ZINC000020650344

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Available files

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