Vitas-M small molecule compound
4-(butan-2-yl)-5-[(4-tert-butylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STK891264
SMILES CCC(n1c(COc2ccc(cc2)C(C)(C)C)nnc1S)C
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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 C17H25N3OS MW 319.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H25N3OS/c1-6-12(2)20-15(18-19-16(20)22)11-21-14-9-7-13(8-10-14)17(3,4)5/h7-10,12H,6,11H2,1-5H3,(H,19,22)InChIKey
DNANMRXBHBBJQT-UHFFFAOYSA-NSynonyms
942876-30-44(butan2yl)5((4tertbutylphenoxy)methyl)4H124triazole3thiol
4butan2yl3((4tertbutylphenoxy)methyl)1H124triazole5thione
942876304
CCC(C)N1C(=NNC1=S)COC2=CC=C(C=C2)C(C)(C)C
InChI=1SC17H25N3OSc1612(2)2015(181916(20)22)1121149713(81014)17(34)5h71012H611H215H3(H1922)
MFCD09983421
ZINC000011692605
ZINC000011692606
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