Vitas-M small molecule compound
4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(4-ethoxyphenyl)isoquinolin-1(2H)-one
Catalog ID
STL104231
SMILES CCOc1ccc(cc1)n1cc(c2onc(n2)c2ccc3c(c2)OCO3)c2c(c1=O)cccc2
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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 C26H19N3O5 MW 453.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19N3O5/c1-2-31-18-10-8-17(9-11-18)29-14-21(19-5-3-4-6-20(19)26(29)30)25-27-24(28-34-25)16-7-12-22-23(13-16)33-15-32-22/h3-14H,2,15H2,1H3InChIKey
PLGYWOHCITXMRE-UHFFFAOYSA-NSynonyms
1326859-42-01326859420
4(3(13benzodioxol5yl)124oxadiazol5yl)2(4ethoxyphenyl)isoquinolin1(2H)one
4(3(13benzodioxol5yl)124oxadiazol5yl)2(4ethoxyphenyl)isoquinolin1one
4(3(BENZO(D)(13)DIOXOL5YL)124OXADIAZOL5YL)2(4ETHOXYPHENYL)ISOQUINOLIN1(2H)ONE
CCOC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C4=NC(=NO4)C5=CC6=C(C=C5)OCO6
InChI=1SC26H19N3O5c12311810817(91118)291421(19534620(19)26(29)30)252724(283425)167122223(1316)33153222h314H215H21H3
MFCD20735772
ZINC000067245212
ZINC67245212
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