Vitas-M small molecule compound
(2Z)-7-[(4-methylpiperidinium-1-yl)methyl]-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856522
SMILES COc1cc(/C=C/2\Oc3c(C2=O)ccc(c3C[NH+]2CCC(CC2)C)[O-])cc(c1OC)OC
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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 C25H29NO6 MW 439.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO6/c1-15-7-9-26(10-8-15)14-18-19(27)6-5-17-23(28)20(32-24(17)18)11-16-12-21(29-2)25(31-4)22(13-16)30-3/h5-6,11-13,15,27H,7-10,14H2,1-4H3/b20-11-InChIKey
SIOISJNDIHEXHR-JAIQZWGSSA-NSynonyms
887213-70-9(2Z)6hydroxy7((4methylpiperidin1yl)methyl)2((345trimethoxyphenyl)methylidene)1benzofuran3one
(2Z)7((4methylpiperidinium1yl)methyl)3oxo2(345trimethoxybenzylidene)23dihydro1benzofuran6olate
887213709
CC1CCN(CC1)CC2=C(C=CC3=C2OC(=CC4=CC(=C(C(=C4)OC)OC)OC)C3=O)O
COc1cc(C=C2Oc3c(C2=O)ccc(c3C(NH+)2CCC(CC2)C)(O))cc(c1OC)OC
InChI=1SC25H29NO6c1157926(10815)141819(27)651723(28)20(3224(17)18)11161221(292)25(314)22(1316)303h5611131527H71014H214H3b2011
MFCD06745629
ZINC000020624652
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