Vitas-M small molecule compound

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

Catalog ID
STK502652
SMILES CCn1c(COc2cc(Cl)ccc2Cl)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 C11H11Cl2N3OS MW 304.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H11Cl2N3OS/c1-2-16-10(14-15-11(16)18)6-17-9-5-7(12)3-4-8(9)13/h3-5H,2,6H2,1H3,(H,15,18)
InChIKey
WENZYAFNKVDYPS-UHFFFAOYSA-N
Synonyms
861240-03-1
3((25dichlorophenoxy)methyl)4ethyl1H124triazole5thione
5((25DICHLOROPHENOXY)METHYL)4ETHYL4H124TRIAZOLE3THIOL
5(25DICHLOROPHENOXYMETHYL)4ETHYL124TRIAZOLE3THIOL
861240031
CCN1C(=NNC1=S)COC2=C(C=CC(=C2)Cl)Cl
InChI=1SC11H11Cl2N3OSc121610(141511(16)18)617957(12)348(9)13h35H26H21H3(H1518)
MFCD04968898
ZINC000002536738
ZINC2536738

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Available files

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