Vitas-M small molecule compound
2-(4-ethoxyphenyl)-4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]isoquinolin-1(2H)-one
Catalog ID
STL104238
SMILES CCOc1ccc(cc1)n1cc(c2onc(n2)c2ccc(cc2)CC)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 C27H23N3O3 MW 437.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O3/c1-3-18-9-11-19(12-10-18)25-28-26(33-29-25)24-17-30(20-13-15-21(16-14-20)32-4-2)27(31)23-8-6-5-7-22(23)24/h5-17H,3-4H2,1-2H3InChIKey
YXSXOGLTWCNYDT-UHFFFAOYSA-NSynonyms
1326932-21-11326932211
2(4ethoxyphenyl)4(3(4ethylphenyl)124oxadiazol5yl)isoquinolin1(2H)one
2(4ethoxyphenyl)4(3(4ethylphenyl)124oxadiazol5yl)isoquinolin1one
CCC1=CC=C(C=C1)C2=NOC(=N2)C3=CN(C(=O)C4=CC=CC=C43)C5=CC=C(C=C5)OCC
InChI=1SC27H23N3O3c131891119(121018)252826(332925)241730(20131521(161420)3242)27(31)23865722(23)24h517H34H212H3
MFCD20735778
ZINC000067245220
ZINC67245220
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