Vitas-M small molecule compound

5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol

Catalog ID
STK501223
SMILES CC(c1ccc(cc1)c1nnc(n1C)S)(C)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 C13H17N3S MW 247.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17N3S/c1-13(2,3)10-7-5-9(6-8-10)11-14-15-12(17)16(11)4/h5-8H,1-4H3,(H,15,17)
InChIKey
WBHKPLKLHZOBRB-UHFFFAOYSA-N
Synonyms
175276-75-2
175276752
3(4TERTBUTYLPHENYL)4METHYL1H124TRIAZOLE5THIONE
3(4TERTBUTYLPHENYL)4METHYL45DIHYDRO1H124TRIAZOLE5THIONE
3H124TRIAZOLE3THIONE5(4(11DIMETHYLETHYL)PHENYL)24DIHYDRO4METHYL
5(4(TERTBUTYL)PHENYL)4METHYL124TRIAZOLE3THIOL
5(4(TERTBUTYL)PHENYL)4METHYL4H124TRIAZOLE3THIOL
5(4TERTBUTYLPHENYL)4METHYL(124)TRIAZOLE3THIOL
5(4TERTBUTYLPHENYL)4METHYL124TRIAZOLE3THIOL
5(4TERTBUTYLPHENYL)4METHYL24DIHYDRO(124)TRIAZOLE3THIONE
5(4TERTBUTYLPHENYL)4METHYL2H124TRIAZOLE3THIONE
5(4tertbutylphenyl)4methyl4H124triazole3thiol
CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2C
InChI=1SC13H17N3Sc113(23)10759(6810)11141512(17)16(11)4h58H14H3(H1517)
MFCD00177225
ZINC000000090959
ZINC00090959
ZINC90959

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Available files

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