Vitas-M small molecule compound

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

Catalog ID
STK946057
SMILES Cc1ccccc1OCc1nnc(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 C13H15N3OS MW 261.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N3OS/c1-9-4-2-3-5-11(9)17-8-12-14-15-13(18)16(12)10-6-7-10/h2-5,10H,6-8H2,1H3,(H,15,18)
InChIKey
HGGGUQZXPCEWEP-UHFFFAOYSA-N
Synonyms
942876-42-8
4cyclopropyl3((2methylphenoxy)methyl)1H124triazole5thione
4cyclopropyl5((2methylphenoxy)methyl)4H124triazole3thiol
942876428
CC1=CC=CC=C1OCC2=NNC(=S)N2C3CC3
InChI=1SC13H15N3OSc19423511(9)17812141513(18)16(12)106710h2510H68H21H3(H1518)
MFCD09983425
ZINC000011692613
ZINC11692613

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Available files

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