Vitas-M small molecule compound
2-(4-ethoxyphenyl)-4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]isoquinolin-1(2H)-one
Catalog ID
STL104235
SMILES CCOc1ccc(cc1)n1cc(c2onc(n2)c2cc(OC)c(c(c2)OC)OC)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 C28H25N3O6 MW 499.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O6/c1-5-36-19-12-10-18(11-13-19)31-16-22(20-8-6-7-9-21(20)28(31)32)27-29-26(30-37-27)17-14-23(33-2)25(35-4)24(15-17)34-3/h6-16H,5H2,1-4H3InChIKey
KCFUWCSCPHYNAF-UHFFFAOYSA-NSynonyms
1207002-31-01207002310
2(4ethoxyphenyl)4(3(345trimethoxyphenyl)124oxadiazol5yl)isoquinolin1(2H)one
2(4ethoxyphenyl)4(3(345trimethoxyphenyl)124oxadiazol5yl)isoquinolin1one
CCOC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C4=NC(=NO4)C5=CC(=C(C(=C5)OC)OC)OC
InChI=1SC28H25N3O6c153619121018(111319)311622(20867921(20)28(31)32)272926(303727)171423(332)25(354)24(1517)343h616H5H214H3
MFCD16637938
ZINC000038487253
ZINC38487253
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