Vitas-M small molecule compound
4-pentyl-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK891285
SMILES CCCCCn1c(COc2ccccc2)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 C14H19N3OS MW 277.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H19N3OS/c1-2-3-7-10-17-13(15-16-14(17)19)11-18-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10-11H2,1H3,(H,16,19)InChIKey
HLGWWABTFNTTIZ-UHFFFAOYSA-NSynonyms
4pentyl3(phenoxymethyl)1H124triazole5thione
4pentyl5(phenoxymethyl)4H124triazole3thiol
CCCCCN1C(=NNC1=S)COC2=CC=CC=C2
InChI=1SC14H19N3OSc1237101713(151614(17)19)1118128546912h4689H2371011H21H3(H1619)
MFCD09983441
ZINC000011692632
ZINC11692632
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