Vitas-M small molecule compound

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

Catalog ID
STK434579
SMILES CC(c1nnc(n1C)S)Oc1ccc(c(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/c1-8-5-6-11(7-9(8)2)17-10(3)12-14-15-13(18)16(12)4/h5-7,10H,1-4H3,(H,15,18)
InChIKey
LSTUKJRABJZHAL-UHFFFAOYSA-N
Synonyms
588673-73-8
3(1(34DIMETHYLPHENOXY)ETHYL)4METHYL1H124TRIAZOLE5THIONE
5((34DIMETHYLPHENOXY)ETHYL)4METHYL124TRIAZOLE3THIOL
5(1(34DIMETHYLPHENOXY)ETHYL)4METHYL124TRIAZOLE3THIOL
5(1(34dimethylphenoxy)ethyl)4methyl4H124triazole3thiol
588673738
CC1=C(C=C(C=C1)OC(C)C2=NNC(=S)N2C)C
InChI=1SC13H17N3OSc185611(79(8)2)1710(3)12141513(18)16(12)4h5710H14H3(H1518)
MFCD03943497
ZINC000006234127
ZINC000016990530

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Available files

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