Vitas-M small molecule compound

5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-4H-1,2,4-triazole-3-thiol

Catalog ID
STK946058
SMILES Clc1ccccc1OCc1nnc(n1C1CC1)S

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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 C12H12ClN3OS MW 281.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12ClN3OS/c13-9-3-1-2-4-10(9)17-7-11-14-15-12(18)16(11)8-5-6-8/h1-4,8H,5-7H2,(H,15,18)
InChIKey
RDVVYJSLIIWGGM-UHFFFAOYSA-N
Synonyms
851169-44-3
3((2CHLOROPHENOXY)METHYL)4CYCLOPROPYL1H124TRIAZOLE5THIONE
5((2chlorophenoxy)methyl)4cyclopropyl4H124triazole3thiol
5(2CHLOROPHENOXYMETHYL)4CYCLOPROPYL4H124TRIAZOLE3THIOL
851169443
C1CC1N2C(=NNC2=S)COC3=CC=CC=C3Cl
InChI=1SC12H12ClN3OSc139312410(9)17711141512(18)16(11)8568h148H57H2(H1518)
MFCD06655021
ZINC000003887498
ZINC3887498

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Available files

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