Vitas-M small molecule compound

6-[2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)ethyl]-3-(pyridin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Catalog ID
STK657145
SMILES Cc1nn(c(c1CCc1nn2c(s1)nnc2c1ccccn1)C)c1ccccc1

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Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C21H19N7S MW 401.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N7S/c1-14-17(15(2)27(25-14)16-8-4-3-5-9-16)11-12-19-26-28-20(23-24-21(28)29-19)18-10-6-7-13-22-18/h3-10,13H,11-12H2,1-2H3
InChIKey
ITNAMJGCUAUOHS-UHFFFAOYSA-N
Synonyms
1010866-22-4
1010866224
6(2(35dimethyl1phenyl1Hpyrazol4yl)ethyl)3(pyridin2yl)(124)triazolo(34b)(134)thiadiazole
6(2(35dimethyl1phenylpyrazol4yl)ethyl)3pyridin2yl(124)triazolo(34b)(134)thiadiazole
CC1=C(C(=NN1C2=CC=CC=C2)C)CCC3=NN4C(=NN=C4S3)C5=CC=CC=N5
InChI=1SC21H19N7Sc11417(15(2)27(2514)168435916)111219262820(232421(28)2919)181067132218h31013H1112H212H3
MFCD09847013
ZINC000009577470
ZINC09577470
ZINC9577470

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Available files

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