Vitas-M small molecule compound
4-cyclohexyl-5-({[5-(1-methyl-1H-pyrazol-3-yl)-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK306264
SMILES Cn1ccc(n1)c1nnc(n1CC1CCCO1)SCc1nnc(n1C1CCCCC1)S
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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 C20H28N8OS2 MW 460.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N8OS2/c1-26-10-9-16(25-26)18-22-24-20(27(18)12-15-8-5-11-29-15)31-13-17-21-23-19(30)28(17)14-6-3-2-4-7-14/h9-10,14-15H,2-8,11-13H2,1H3,(H,23,30)InChIKey
XHXRMYTYMPFMPL-UHFFFAOYSA-NSynonyms
1005565-08-11005565081
4CYCLOHEXYL3((5(1METHYLPYRAZOL3YL)4(OXOLAN2YLMETHYL)124TRIAZOL3YL)SULFANYLMETHYL)1H124TRIAZOLE5THIONE
4cyclohexyl5(((5(1methyl1Hpyrazol3yl)4(tetrahydrofuran2ylmethyl)4H124triazol3yl)sulfanyl)methyl)4H124triazole3thiol
CN1C=CC(=N1)C2=NN=C(N2CC3CCCO3)SCC4=NNC(=S)N4C5CCCCC5
InChI=1SC20H28N8OS2c12610916(2526)18222420(27(18)121585112915)311317212319(30)28(17)146324714h9101415H281113H21H3(H2330)
MFCD04047921
ZINC000002789729
ZINC000002789730
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