Vitas-M small molecule compound

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

Catalog ID
STK435256
SMILES CC(c1nnc(n1C)S)Oc1cc(C)c(c(c1)C)Cl

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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 C13H16ClN3OS MW 297.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16ClN3OS/c1-7-5-10(6-8(2)11(7)14)18-9(3)12-15-16-13(19)17(12)4/h5-6,9H,1-4H3,(H,16,19)
InChIKey
WPDKZGFYSUMDLJ-UHFFFAOYSA-N
Synonyms
588674-42-4
3(1(4CHLORO35DIMETHYLPHENOXY)ETHYL)4METHYL1H124TRIAZOLE5THIONE
5((4CHLORO35DIMETHYLPHENOXY)ETHYL)4METHYL124TRIAZOLE3THIOL
5(1(4CHLORO35DIMETHYLPHENOXY)ETHYL)4METHYL124TRIAZOLE3THIOL
5(1(4chloro35dimethylphenoxy)ethyl)4methyl4H124triazole3thiol
588674424
CC1=CC(=CC(=C1Cl)C)OC(C)C2=NNC(=S)N2C
InChI=1SC13H16ClN3OSc17510(68(2)11(7)14)189(3)12151613(19)17(12)4h569H14H3(H1619)
MFCD03943564
ZINC000002522233
ZINC000017024441

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Available files

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