Vitas-M small molecule compound

4-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STL367672
SMILES Cn1c(S)nnc1c1ccc2c(c1)CCCC2

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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 C13H15N3S MW 245.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N3S/c1-16-12(14-15-13(16)17)11-7-6-9-4-2-3-5-10(9)8-11/h6-8H,2-5H2,1H3,(H,15,17)
InChIKey
QPEPGDARQNLHII-UHFFFAOYSA-N
Synonyms

4methyl3(5678tetrahydronaphthalen2yl)1H124triazole5thione
4methyl5(5678tetrahydronaphthalen2yl)4H124triazole3thiol
CN1C(=NNC1=S)C2=CC3=C(CCCC3)C=C2
InChI=1SC13H15N3Sc11612(141513(16)17)11769423510(9)811h68H25H21H3(H1517)
MFCD26609948
ZINC000077400017
ZINC77400017

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Available files

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