Vitas-M small molecule compound

4-methyl-5-[1-(2-methylphenoxy)ethyl]-4H-1,2,4-triazole-3-thiol

Catalog ID
STK401447
SMILES CC(c1nnc(n1C)S)Oc1ccccc1C

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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 C12H15N3OS MW 249.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H15N3OS/c1-8-6-4-5-7-10(8)16-9(2)11-13-14-12(17)15(11)3/h4-7,9H,1-3H3,(H,14,17)
InChIKey
OKBATRZDTGFJBZ-UHFFFAOYSA-N
Synonyms
588673-51-2
4METHYL3(1(2METHYLPHENOXY)ETHYL)1H124TRIAZOLE5THIONE
4METHYL5((2METHYLPHENOXY)ETHYL)124TRIAZOLE3THIOL
4METHYL5(1(2METHYLPHENOXY)ETHYL)124TRIAZOLE3THIOL
4methyl5(1(2methylphenoxy)ethyl)4H124triazole3thiol
4METHYL5(1(OTOLYLOXY)ETHYL)4H124TRIAZOLE3THIOL
588673512
CC1=CC=CC=C1OC(C)C2=NNC(=S)N2C
InChI=1SC12H15N3OSc18645710(8)169(2)11131412(17)15(11)3h479H13H3(H1417)
MFCD03943470
ZINC000002522213
ZINC000016973704

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Available files

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