Vitas-M small molecule compound

5-[(2,6-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol

Catalog ID
STK114649
SMILES Cc1cccc(c1OCc1nnc(n1C)S)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 C12H15N3OS MW 249.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H15N3OS/c1-8-5-4-6-9(2)11(8)16-7-10-13-14-12(17)15(10)3/h4-6H,7H2,1-3H3,(H,14,17)
InChIKey
YECKHZMWTIKHRR-UHFFFAOYSA-N
Synonyms
662158-98-7
3((26DIMETHYLPHENOXY)METHYL)4METHYL1H124TRIAZOLE5THIONE
5((26DIMETHYLPHENOXY)METHYL)4METHYL4H124TRIAZOL3YLHYDROSULFIDE
5((26DIMETHYLPHENOXY)METHYL)4METHYL4H124TRIAZOLE3THIOL
5(26DIMETHYLPHENOXYMETHYL)4METHYL
5(26DIMETHYLPHENOXYMETHYL)4METHYL4H(124)TRIAZOLE3THIOL
662158987
CC1=C(C(=CC=C1)C)OCC2=NNC(=S)N2C
InChI=1SC12H15N3OSc185469(2)11(8)16710131412(17)15(10)3h46H7H213H3(H1417)
MFCD04128570
ZINC000006557024
ZINC6557024

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Available files

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