Vitas-M small molecule compound

2-(3,4-dimethoxyphenyl)-4-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}isoquinolin-1(2H)-one

Catalog ID
STL104243
SMILES COc1cc(ccc1OC)n1cc(c2onc(n2)c2cccc(c2)C(F)(F)F)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 C26H18F3N3O4 MW 493.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18F3N3O4/c1-34-21-11-10-17(13-22(21)35-2)32-14-20(18-8-3-4-9-19(18)25(32)33)24-30-23(31-36-24)15-6-5-7-16(12-15)26(27,28)29/h3-14H,1-2H3
InChIKey
YYFYNCRIZVQPFA-UHFFFAOYSA-N
Synonyms

2(34dimethoxyphenyl)4(3(3(trifluoromethyl)phenyl)124oxadiazol5yl)isoquinolin1(2H)one
2(34dimethoxyphenyl)4(3(3(trifluoromethyl)phenyl)124oxadiazol5yl)isoquinolin1one
COC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C4=NC(=NO4)C5=CC(=CC=C5)C(F)(F)F)OC
InChI=1SC26H18F3N3O4c13421111017(1322(21)352)321420(18834919(18)25(32)33)243023(313624)1565716(1215)26(2728)29h314H12H3
MFCD20735782
ZINC000067245227
ZINC67245227

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Available files

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