Vitas-M small molecule compound

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

Catalog ID
STK306020
SMILES COc1ccc(cc1)OCc1nnc(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 C13H15N3O2S MW 277.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N3O2S/c1-17-10-4-6-11(7-5-10)18-8-12-14-15-13(19)16(12)9-2-3-9/h4-7,9H,2-3,8H2,1H3,(H,15,19)
InChIKey
QTWFWSIUIRCCKW-UHFFFAOYSA-N
Synonyms
791716-77-3
4CYCLOPROPYL3((4METHOXYPHENOXY)METHYL)1H124TRIAZOLE5THIONE
4cyclopropyl5((4methoxyphenoxy)methyl)4H124triazole3thiol
791716773
COC1=CC=C(C=C1)OCC2=NNC(=S)N2C3CC3
InChI=1SC13H15N3O2Sc117104611(7510)18812141513(19)16(12)9239h479H238H21H3(H1519)
MFCD04046314
ZINC000008492353
ZINC8492353

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Available files

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