Vitas-M small molecule compound

6-[(4-tert-butylphenoxy)methyl]-3-(3-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Catalog ID
STK506615
SMILES Clc1cccc(c1)c1nnc2n1nc(s2)COc1ccc(cc1)C(C)(C)C

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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 C20H19ClN4OS MW 398.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN4OS/c1-20(2,3)14-7-9-16(10-8-14)26-12-17-24-25-18(22-23-19(25)27-17)13-5-4-6-15(21)11-13/h4-11H,12H2,1-3H3
InChIKey
VSTQNMPZFYFSOW-UHFFFAOYSA-N
Synonyms

4TERTBUTYLPHENYL(3(3CHLOROPHENYL)(124)TRIAZOLO(34B)(134)THIADIAZOL6YL)METHYLETHER
6((4tertbutylphenoxy)methyl)3(3chlorophenyl)(124)triazolo(34b)(134)thiadiazole
CC(C)(C)C1=CC=C(C=C1)OCC2=NN3C(=NN=C3S2)C4=CC(=CC=C4)Cl
InChI=1SC20H19ClN4OSc120(23)147916(10814)261217242518(222319(25)2717)1354615(21)1113h411H12H213H3
MFCD06590354
ZINC000004664920
ZINC04664920
ZINC4664920

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Available files

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