Vitas-M small molecule compound
(2Z)-7-(azepan-1-ylmethyl)-2-(2,3-dimethoxybenzylidene)-6-hydroxy-1-benzofuran-3(2H)-one
Catalog ID
STL033366
SMILES COc1c(cccc1OC)/C=C/1\Oc2c(C1=O)ccc(c2CN1CCCCCC1)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/c1-28-20-9-7-8-16(23(20)29-2)14-21-22(27)17-10-11-19(26)18(24(17)30-21)15-25-12-5-3-4-6-13-25/h7-11,14,26H,3-6,12-13,15H2,1-2H3/b21-14-InChIKey
FOZVYOUQOFKHMO-STZFKDTASA-NSynonyms
859664-10-1(2Z)7(azepan1ium1ylmethyl)2((23dimethoxyphenyl)methylidene)3oxo1benzofuran6olate
(2Z)7(AZEPAN1YLMETHYL)2((23DIMETHOXYPHENYL)METHYLIDENE)6HYDROXY1BENZOFURAN3ONE
(2Z)7(azepan1ylmethyl)2(23dimethoxybenzylidene)6hydroxy1benzofuran3(2H)one
(Z)7(azepan1ylmethyl)2(23dimethoxybenzylidene)6hydroxybenzofuran3(2H)one
7(AZAPERHYDROEPINYLMETHYL)2((23DIMETHOXYPHENYL)METHYLENE)6HYDROXYBENZO(B)FURAN3ONE
COC1=CC=CC(=C1OC)C=C2C(=O)C3=C(O2)C(=C(C=C3)(O))C(NH+)4CCCCCC4
COc1c(cccc1OC)C=C1Oc2c(C1=O)ccc(c2CN1CCCCCC1)O
InChI=1SC24H27NO5c1282097816(23(20)292)142122(27)17101119(26)18(24(17)3021)15251253461325h7111426H36121315H212H3b2114
ZINC20611576
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