Vitas-M small molecule compound

5-ethyl-4-(2-ethylphenyl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK444742
SMILES CCc1nnc(n1c1ccccc1CC)S

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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 C12H15N3S MW 233.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H15N3S/c1-3-9-7-5-6-8-10(9)15-11(4-2)13-14-12(15)16/h5-8H,3-4H2,1-2H3,(H,14,16)
InChIKey
DEAXYGXNQNRNDG-UHFFFAOYSA-N
Synonyms

3ethyl4(2ethylphenyl)1H124triazole5thione
5ETHYL4(2ETHYLPHENYL)124TRIAZOLE3THIOL
5ethyl4(2ethylphenyl)4H124triazole3thiol
CCC1=CC=CC=C1N2C(=NNC2=S)CC
InChI=1SC12H15N3Sc139756810(9)1511(42)131412(15)16h58H34H212H3(H1416)
MFCD04057492
ZINC000006395278
ZINC06395278
ZINC6395278

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Available files

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