Vitas-M small molecule compound

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

Catalog ID
STK401456
SMILES CCn1c(S)nnc1C(Oc1cccc(c1)C)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 C13H17N3OS MW 263.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17N3OS/c1-4-16-12(14-15-13(16)18)10(3)17-11-7-5-6-9(2)8-11/h5-8,10H,4H2,1-3H3,(H,15,18)
InChIKey
FJCHRBAMRPZFPB-UHFFFAOYSA-N
Synonyms
588673-95-4
4ETHYL3(1(3METHYLPHENOXY)ETHYL)1H124TRIAZOLE5THIONE
4ETHYL5((3METHYLPHENOXY)ETHYL)124TRIAZOLE3THIOL
4ETHYL5(1(3METHYLPHENOXY)ETHYL)124TRIAZOLE3THIOL
4ethyl5(1(3methylphenoxy)ethyl)4H124triazole3thiol
4ETHYL5(1(MTOLYLOXY)ETHYL)4H124TRIAZOLE3THIOL
588673954
CCN1C(=NNC1=S)C(C)OC2=CC=CC(=C2)C
InChI=1SC13H17N3OSc141612(141513(16)18)10(3)17117569(2)811h5810H4H213H3(H1518)
MFCD03943520
ZINC000002522228
ZINC000016990589

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Available files

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