Vitas-M small molecule compound
4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(3-methoxyphenyl)isoquinolin-1(2H)-one
Catalog ID
STL104219
SMILES COc1cccc(c1)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 C25H17N3O5 MW 439.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17N3O5/c1-30-17-6-4-5-16(12-17)28-13-20(18-7-2-3-8-19(18)25(28)29)24-26-23(27-33-24)15-9-10-21-22(11-15)32-14-31-21/h2-13H,14H2,1H3InChIKey
XGQZHQLAZSRRHH-UHFFFAOYSA-NSynonyms
1207055-87-51207055875
4(3(13benzodioxol5yl)124oxadiazol5yl)2(3methoxyphenyl)isoquinolin1(2H)one
4(3(13benzodioxol5yl)124oxadiazol5yl)2(3methoxyphenyl)isoquinolin1one
4(3(BENZO(D)(13)DIOXOL5YL)124OXADIAZOL5YL)2(3METHOXYPHENYL)ISOQUINOLIN1(2H)ONE
COC1=CC=CC(=C1)N2C=C(C3=CC=CC=C3C2=O)C4=NC(=NO4)C5=CC6=C(C=C5)OCO6
InChI=1SC25H17N3O5c1301764516(1217)281320(18723819(18)25(28)29)242623(273324)159102122(1115)32143121h213H14H21H3
MFCD16637935
ZINC000038487250
ZINC38487250
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