Vitas-M small molecule compound

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

Catalog ID
STL136000
SMILES CCCCc1nnc2n1nc(s2)Cc1ccc(cc1)Cl

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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 C14H15ClN4S MW 306.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15ClN4S/c1-2-3-4-12-16-17-14-19(12)18-13(20-14)9-10-5-7-11(15)8-6-10/h5-8H,2-4,9H2,1H3
InChIKey
YAAVVFMOFBRLGY-UHFFFAOYSA-N
Synonyms

3butyl6((4chlorophenyl)methyl)(124)triazolo(34b)(134)thiadiazole
3butyl6(4chlorobenzyl)(124)triazolo(34b)(134)thiadiazole
CCCCC1=NN=C2N1N=C(S2)CC3=CC=C(C=C3)Cl
InChI=1SC14H15ClN4Sc12341216171419(12)1813(2014)9105711(15)8610h58H249H21H3
MFCD09183421
ZINC000011278081
ZINC11278081

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Available files

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