Vitas-M small molecule compound
4-(4-butylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK149930
SMILES CCCCc1ccc(cc1)n1c(S)nnc1c1cccnc1
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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 C17H18N4S MW 310.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4S/c1-2-3-5-13-7-9-15(10-8-13)21-16(19-20-17(21)22)14-6-4-11-18-12-14/h4,6-12H,2-3,5H2,1H3,(H,20,22)InChIKey
GCAXGOFDBYGICR-UHFFFAOYSA-NSynonyms
4(4BUTYLPHENYL)3PYRIDIN3YL1H124TRIAZOLE5THIONE
4(4BUTYLPHENYL)5(3PYRIDYL)124TRIAZOLE3THIOL
4(4BUTYLPHENYL)5(PYRIDIN3YL)4H124TRIAZOLE3THIOL
CCCCC1=CC=C(C=C1)N2C(=NNC2=S)C3=CN=CC=C3
InChI=1SC17H18N4Sc1235137915(10813)2116(192017(21)22)146411181214h4612H235H21H3(H2022)
MFCD03778951
ZINC000005870342
ZINC5870342
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