Vitas-M small molecule compound

5-methyl-5-(2-methylpropyl)-2-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol

Catalog ID
STK670439
SMILES CC(CC1(C)NN(C(=N1)S)c1ccccc1)C

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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 C13H19N3S MW 249.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H19N3S/c1-10(2)9-13(3)14-12(17)16(15-13)11-7-5-4-6-8-11/h4-8,10,15H,9H2,1-3H3,(H,14,17)
InChIKey
WVCFFDMZHCQTJD-UHFFFAOYSA-N
Synonyms
39263-74-6
5ISOBUTYL5METHYL2PHENYL(124)TRIAZOLIDINE3THIONE
5ISOBUTYL5METHYL2PHENYL25DIHYDRO1H(124)TRIAZOLE3THIOL
5ISOBUTYL5METHYL2PHENYL25DIHYDRO1H124TRIAZOL3YLHYDROSULFIDE
5methyl5(2methylpropyl)2phenyl25dihydro1H124triazole3thiol
CC(C)CC1(NC(=S)N(N1)C2=CC=CC=C2)C
InChI=1SC13H19N3Sc110(2)913(3)1412(17)16(1513)117546811h481015H9H213H3(H1417)
MFCD00128523

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Available files

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