Vitas-M small molecule compound
2-(3,4-dimethylphenyl)-4-{3-[3-methoxy-4-(propan-2-yloxy)phenyl]-1,2,4-oxadiazol-5-yl}isoquinolin-1(2H)-one
Catalog ID
STL104273
SMILES COc1cc(ccc1OC(C)C)c1noc(n1)c1cn(c2ccc(c(c2)C)C)c(=O)c2c1cccc2
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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 C29H27N3O4 MW 481.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O4/c1-17(2)35-25-13-11-20(15-26(25)34-5)27-30-28(36-31-27)24-16-32(21-12-10-18(3)19(4)14-21)29(33)23-9-7-6-8-22(23)24/h6-17H,1-5H3InChIKey
UZDVSJTYVFSQEU-UHFFFAOYSA-NSynonyms
1326900-86-01326900860
2(34dimethylphenyl)4(3(3methoxy4(propan2yloxy)phenyl)124oxadiazol5yl)isoquinolin1(2H)one
2(34dimethylphenyl)4(3(3methoxy4propan2yloxyphenyl)124oxadiazol5yl)isoquinolin1one
2(34DIMETHYLPHENYL)4(3(4ISOPROPOXY3METHOXYPHENYL)124OXADIAZOL5YL)ISOQUINOLIN1(2H)ONE
CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C4=NC(=NO4)C5=CC(=C(C=C5)OC(C)C)OC)C
InChI=1SC29H27N3O4c117(2)3525131120(1526(25)345)273028(363127)241632(21121018(3)19(4)1421)29(33)23976822(23)24h617H15H3
MFCD20735812
ZINC000067245287
ZINC67245287
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