Vitas-M small molecule compound
(2Z)-2-(3,4-dimethoxybenzylidene)-7-[(4-methylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856589
SMILES COc1cc(ccc1OC)/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CCC(CC1)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/c1-15-8-10-25(11-9-15)14-18-19(26)6-5-17-23(27)22(30-24(17)18)13-16-4-7-20(28-2)21(12-16)29-3/h4-7,12-13,15,26H,8-11,14H2,1-3H3/b22-13-InChIKey
HUCXPTHXJYNIBP-XKZIYDEJSA-NSynonyms
869078-01-3(2Z)2((34dimethoxyphenyl)methylidene)7((4methylpiperidin1ium1yl)methyl)3oxo1benzofuran6olate
(2Z)2(34dimethoxybenzylidene)7((4methylpiperidinium1yl)methyl)3oxo23dihydro1benzofuran6olate
869078013
CC1CC(NH+)(CC1)CC2=C(C=CC3=C2OC(=CC4=CC(=C(C=C4)OC)OC)C3=O)(O)
COc1cc(ccc1OC)C=C1Oc2c(C1=O)ccc(c2C(NH+)1CCC(CC1)C)(O)
InChI=1SC24H27NO5c11581025(11915)141819(26)651723(27)22(3024(17)18)13164720(282)21(1216)293h4712131526H81114H213H3b2213
MFCD06405770
ZINC000013653617
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