Vitas-M small molecule compound
5-{4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-4-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK307296
SMILES Cc1nn(c(c1Br)C)Cc1ccc(cc1)c1nnc(n1CCc1ccccc1)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 C22H22BrN5S MW 468.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22BrN5S/c1-15-20(23)16(2)28(26-15)14-18-8-10-19(11-9-18)21-24-25-22(29)27(21)13-12-17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3,(H,25,29)InChIKey
DQFDCKRVNZXUML-UHFFFAOYSA-NSynonyms
1005589-12-71005589127
3(4((4bromo35dimethylpyrazol1yl)methyl)phenyl)4(2phenylethyl)1H124triazole5thione
3(4((4BROMO35DIMETHYLPYRAZOL1YL)METHYL)PHENYL)4PHENETHYL1H124TRIAZOLE5THIONE
5(4((4bromo35dimethyl1Hpyrazol1yl)methyl)phenyl)4(2phenylethyl)4H124triazole3thiol
CC1=C(C(=NN1CC2=CC=C(C=C2)C3=NNC(=S)N3CCC4=CC=CC=C4)C)Br
InChI=1SC22H22BrN5Sc11520(23)16(2)28(2615)141881019(11918)21242522(29)27(21)1312176435717h311H1214H212H3(H2529)
MFCD04052737
ZINC000002793384
ZINC02793384
ZINC2793384
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