Vitas-M small molecule compound

6-[(E)-2-(2-methoxyphenyl)ethenyl]-3-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Catalog ID
STK506513
SMILES COc1ccccc1/C=C/c1nn2c(s1)nnc2COc1ccccc1

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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 C19H16N4O2S MW 364.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N4O2S/c1-24-16-10-6-5-7-14(16)11-12-18-22-23-17(20-21-19(23)26-18)13-25-15-8-3-2-4-9-15/h2-12H,13H2,1H3/b12-11+
InChIKey
UCPWQKUQIBGFIM-VAWYXSNFSA-N
Synonyms

6((E)2(2methoxyphenyl)ethenyl)3(phenoxymethyl)(124)triazolo(34b)(134)thiadiazole
COC1=CC=CC=C1C=CC2=NN3C(=NN=C3S2)COC4=CC=CC=C4
COc1ccccc1C=Cc1nn2c(s1)nnc2COc1ccccc1
InChI=1SC19H16N4O2Sc124161065714(16)111218222317(202119(23)2618)1325158324915h212H13H21H3b1211+
MFCD05088014
ZINC000004664892
ZINC04664892
ZINC4664892

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Available files

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