Vitas-M small molecule compound

5,5-dibutyl-2-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol

Catalog ID
STL047490
SMILES CCCCC1(CCCC)NN(C(=N1)S)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 C16H25N3S MW 291.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H25N3S/c1-3-5-12-16(13-6-4-2)17-15(20)19(18-16)14-10-8-7-9-11-14/h7-11,18H,3-6,12-13H2,1-2H3,(H,17,20)
InChIKey
ZZNVZDXMORRKAF-UHFFFAOYSA-N
Synonyms
341943-82-6
341943826
55dibutyl2phenyl25dihydro1H124triazole3thiol
CCCCC1(NC(=S)N(N1)C2=CC=CC=C2)CCCC
InChI=1SC16H25N3Sc1351216(13642)1715(20)19(1816)14108791114h71118H361213H212H3(H1720)
MFCD03806898
ZINC02320539
ZINC2320539

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Available files

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