Vitas-M small molecule compound

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

Catalog ID
STK401469
SMILES COc1ccc(cc1)OC(c1nnc(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 C12H15N3O2S MW 265.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H15N3O2S/c1-8(11-13-14-12(18)15(11)2)17-10-6-4-9(16-3)5-7-10/h4-8H,1-3H3,(H,14,18)
InChIKey
IEPYREFQJBISPQ-UHFFFAOYSA-N
Synonyms
669737-44-4
3(1(4METHOXYPHENOXY)ETHYL)4METHYL1H124TRIAZOLE5THIONE
5((4METHOXYPHENOXY)ETHYL)4METHYL124TRIAZOLE3THIOL
5(1(4METHOXYPHENOXY)ETHYL)4METHYL124TRIAZOLE3THIOL
5(1(4methoxyphenoxy)ethyl)4methyl4H124triazole3thiol
669737444
CC(C1=NNC(=S)N1C)OC2=CC=C(C=C2)OC
InChI=1SC12H15N3O2Sc18(11131412(18)15(11)2)1710649(163)5710h48H13H3(H1418)
MFCD04054749
ZINC000006409298
ZINC000006525421

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Available files

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