Vitas-M small molecule compound

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

Catalog ID
STK435173
SMILES CCn1c(COc2cc(C)c(c(c2)C)Cl)nnc1S

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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/c1-4-17-11(15-16-13(17)19)7-18-10-5-8(2)12(14)9(3)6-10/h5-6H,4,7H2,1-3H3,(H,16,19)
InChIKey
NKMALVBJLYOZCU-UHFFFAOYSA-N
Synonyms
156867-74-2
156867742
3((4CHLORO35DIMETHYLPHENOXY)METHYL)4ETHYL1H124TRIAZOLE5THIONE
5((4CHLORO35DIMETHYLPHENOXY)METHYL)4ETHYL124TRIAZOLE3THIOL
5((4chloro35dimethylphenoxy)methyl)4ethyl4H124triazole3thiol
5(4CHLORO35DIMETHYLPHENOXYMETHYL)4ETHYL124TRIAZOLE3THIOL
CCN1C(=NNC1=S)COC2=CC(=C(C(=C2)C)Cl)C
InChI=1SC13H16ClN3OSc141711(151613(17)19)7181058(2)12(14)9(3)610h56H47H213H3(H1619)
MFCD03943508
ZINC000002522218
ZINC02522218
ZINC2522218

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Available files

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