Vitas-M small molecule compound
5-[(4-methylphenoxy)methyl]-4-pentyl-4H-1,2,4-triazole-3-thiol
Catalog ID
STK891286
SMILES CCCCCn1c(COc2ccc(cc2)C)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 C15H21N3OS MW 291.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H21N3OS/c1-3-4-5-10-18-14(16-17-15(18)20)11-19-13-8-6-12(2)7-9-13/h6-9H,3-5,10-11H2,1-2H3,(H,17,20)InChIKey
CKBQROTVJSQHLO-UHFFFAOYSA-NSynonyms
951895-18-43((4methylphenoxy)methyl)4pentyl1H124triazole5thione
5((4methylphenoxy)methyl)4pentyl4H124triazole3thiol
951895184
CCCCCN1C(=NNC1=S)COC2=CC=C(C=C2)C
InChI=1SC15H21N3OSc1345101814(161715(18)20)1119138612(2)7913h69H351011H212H3(H1720)
MFCD09983442
ZINC000011692633
ZINC11692633
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