Vitas-M small molecule compound

5-benzyl-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK257094
SMILES CC(Cn1c(nnc1S)Cc1ccccc1)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/c1-10(2)9-16-12(14-15-13(16)17)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,17)
InChIKey
YHRSLOHHPAQMRY-UHFFFAOYSA-N
Synonyms
675193-55-2
3BENZYL4(2METHYLPROPYL)1H124TRIAZOLE5THIONE
5BENZYL4(2METHYLPROPYL)4H124TRIAZOLE3THIOL
5BENZYL4ISOBUTYL4H(124)TRIAZOLE3THIOL
5BENZYL4ISOBUTYL4H124TRIAZOLE3THIOL
675193552
CC(C)CN1C(=NNC1=S)CC2=CC=CC=C2
InChI=1SC13H17N3Sc110(2)91612(141513(16)17)8116435711h3710H89H212H3(H1517)
MFCD05815987
ZINC000005817382
ZINC05817382
ZINC5817382

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Available files

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