Vitas-M small molecule compound
4-(4-butylphenyl)-5-methyl-4H-1,2,4-triazole-3-thiol
Catalog ID
STK444566
SMILES CCCCc1ccc(cc1)n1c(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 C13H17N3S MW 247.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17N3S/c1-3-4-5-11-6-8-12(9-7-11)16-10(2)14-15-13(16)17/h6-9H,3-5H2,1-2H3,(H,15,17)InChIKey
JCGFAYNCBGESDA-UHFFFAOYSA-NSynonyms
4(4butylphenyl)3methyl1H124triazole5thione
4(4BUTYLPHENYL)5METHYL124TRIAZOLE3THIOL
4(4butylphenyl)5methyl4H124triazole3thiol
CCCCC1=CC=C(C=C1)N2C(=NNC2=S)C
InChI=1SC13H17N3Sc1345116812(9711)1610(2)141513(16)17h69H35H212H3(H1517)
MFCD04057414
ZINC000006390615
ZINC06390615
ZINC6390615
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