Vitas-M small molecule compound

5-butyl-2,5-diphenyl-1,2,4-triazolidine-3-thione

Catalog ID
STK794893
SMILES CCCCC1(NN(C(=S)N1)c1ccccc1)c1ccccc1

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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 C18H21N3S MW 311.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3S/c1-2-3-14-18(15-10-6-4-7-11-15)19-17(22)21(20-18)16-12-8-5-9-13-16/h4-13,20H,2-3,14H2,1H3,(H,19,22)
InChIKey
CLFIQYANMBHRKN-UHFFFAOYSA-N
Synonyms

5butyl25diphenyl124triazolidine3thione
CCCCC1(NC(=S)N(N1)C2=CC=CC=C2)C3=CC=CC=C3
InChI=1SC18H21N3Sc1231418(15106471115)1917(22)21(2018)16128591316h41320H2314H21H3(H1922)
MFCD01895873
ZINC000002945366
ZINC000004198872

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Available files

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