Vitas-M small molecule compound
5-[(4-tert-butylphenoxy)methyl]-4-(propan-2-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK891252
SMILES CC(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 C16H23N3OS MW 305.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H23N3OS/c1-11(2)19-14(17-18-15(19)21)10-20-13-8-6-12(7-9-13)16(3,4)5/h6-9,11H,10H2,1-5H3,(H,18,21)InChIKey
INGWKTTXIWHJJW-UHFFFAOYSA-NSynonyms
942876-04-23((4tertbutylphenoxy)methyl)4propan2yl1H124triazole5thione
5((4tertbutylphenoxy)methyl)4(propan2yl)4H124triazole3thiol
942876042
CC(C)N1C(=NNC1=S)COC2=CC=C(C=C2)C(C)(C)C
InChI=1SC16H23N3OSc111(2)1914(171815(19)21)1020138612(7913)16(34)5h6911H10H215H3(H1821)
MFCD09983409
ZINC000011692591
ZINC11692591
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