Vitas-M small molecule compound

3-(2-chlorobenzyl)-6-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Catalog ID
STL246075
SMILES CCc1nn2c(s1)nnc2Cc1ccccc1Cl

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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 C12H11ClN4S MW 278.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11ClN4S/c1-2-11-16-17-10(14-15-12(17)18-11)7-8-5-3-4-6-9(8)13/h3-6H,2,7H2,1H3
InChIKey
YDHFWCOYDPLICF-UHFFFAOYSA-N
Synonyms
1351687-94-9
3((2chlorophenyl)methyl)6ethyl(124)triazolo(34b)(134)thiadiazole
3(2chlorobenzyl)6ethyl(124)triazolo(34b)(134)thiadiazole
CCC1=NN2C(=NN=C2S1)CC3=CC=CC=C3Cl
Registry IDs
MFCD20536676
ZINC000072401580
ZINC72401580

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Available files

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