Vitas-M small molecule compound

6-(1-benzofuran-2-yl)-3-(2-phenylethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Catalog ID
STK737882
SMILES c1ccc(cc1)CCc1nnc2n1nc(s2)c1cc2c(o1)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 C19H14N4OS MW 346.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14N4OS/c1-2-6-13(7-3-1)10-11-17-20-21-19-23(17)22-18(25-19)16-12-14-8-4-5-9-15(14)24-16/h1-9,12H,10-11H2
InChIKey
UGRJWXYAMNMUBZ-UHFFFAOYSA-N
Synonyms
929846-77-5
6(1benzofuran2yl)3(2phenylethyl)(124)triazolo(34b)(134)thiadiazole
6(benzofuran2yl)3phenethyl(124)triazolo(34b)(134)thiadiazole
929846775
C1=CC=C(C=C1)CCC2=NN=C3N2N=C(S3)C4=CC5=CC=CC=C5O4
InChI=1SC19H14N4OSc12613(731)10111720211923(17)2218(2519)161214845915(14)2416h1912H1011H2
MFCD09845835
ZINC000009531440
ZINC09531440
ZINC9531440

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.