Vitas-M small molecule compound

5-{[(5-cyclohexyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-phenyl-1,2,4-oxadiazole

Catalog ID
STL406688
SMILES Cn1c(SCc2onc(n2)c2ccccc2)nnc1C1CCCCC1

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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 C18H21N5OS MW 355.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N5OS/c1-23-17(14-10-6-3-7-11-14)20-21-18(23)25-12-15-19-16(22-24-15)13-8-4-2-5-9-13/h2,4-5,8-9,14H,3,6-7,10-12H2,1H3
InChIKey
JQMLOBUOQQUVHA-UHFFFAOYSA-N
Synonyms

5(((5cyclohexyl4methyl4H124triazol3yl)sulfanyl)methyl)3phenyl124oxadiazole
5((5CYCLOHEXYL4METHYL124TRIAZOL3YL)SULFANYLMETHYL)3PHENYL124OXADIAZOLE
CN1C(=NN=C1SCC2=NC(=NO2)C3=CC=CC=C3)C4CCCCC4
InChI=1SC18H21N5OSc12317(14106371114)202118(23)2512151916(222415)138425913h2458914H3671012H21H3
MFCD04394890
ZINC000000811913
ZINC00811913
ZINC811913

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Available files

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