Vitas-M small molecule compound
(2Z)-2-(2,5-dimethoxybenzylidene)-7-[(2-methylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856258
SMILES COc1ccc(cc1/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CCCCC1C)[O-])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 C24H27NO5 MW 409.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27NO5/c1-15-6-4-5-11-25(15)14-19-20(26)9-8-18-23(27)22(30-24(18)19)13-16-12-17(28-2)7-10-21(16)29-3/h7-10,12-13,15,26H,4-6,11,14H2,1-3H3/b22-13-InChIKey
MOACJKZREYOZJW-XKZIYDEJSA-NSynonyms
869077-48-5(2Z)2((25dimethoxyphenyl)methylidene)6hydroxy7((2methylpiperidin1yl)methyl)1benzofuran3one
(2Z)2(25dimethoxybenzylidene)7((2methylpiperidinium1yl)methyl)3oxo23dihydro1benzofuran6olate
869077485
CC1CCCCN1CC2=C(C=CC3=C2OC(=CC4=C(C=CC(=C4)OC)OC)C3=O)O
COc1ccc(cc1C=C1Oc2c(C1=O)ccc(c2C(NH+)1CCCCC1C)(O))OC
InChI=1SC24H27NO5c1156451125(15)141920(26)981823(27)22(3024(18)19)13161217(282)71021(16)293h71012131526H461114H213H3b2213
MFCD06405758
ZINC000013653805
ZINC000013653807
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