Vitas-M small molecule compound
5-[(4-chlorophenoxy)methyl]-4-pentyl-4H-1,2,4-triazole-3-thiol
Catalog ID
STK891259
SMILES CCCCCn1c(COc2ccc(cc2)Cl)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 C14H18ClN3OS MW 311.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H18ClN3OS/c1-2-3-4-9-18-13(16-17-14(18)20)10-19-12-7-5-11(15)6-8-12/h5-8H,2-4,9-10H2,1H3,(H,17,20)InChIKey
QEWRIQFPZDZZNA-UHFFFAOYSA-NSynonyms
3((4chlorophenoxy)methyl)4pentyl1H124triazole5thione
5((4chlorophenoxy)methyl)4pentyl4H124triazole3thiol
CCCCCN1C(=NNC1=S)COC2=CC=C(C=C2)Cl
InChI=1SC14H18ClN3OSc123491813(161714(18)20)1019127511(15)6812h58H24910H21H3(H1720)
MFCD09983417
ZINC000011692600
ZINC11692600
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