Vitas-M small molecule compound
3-[(4-bromobenzyl)sulfanyl]-5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazole
Catalog ID
STL394529
SMILES Brc1ccc(cc1)CSc1nnc(n1c1ccccc1)Cn1nc(c(c1C)Br)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 C21H19Br2N5S MW 533.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19Br2N5S/c1-14-20(23)15(2)27(26-14)12-19-24-25-21(28(19)18-6-4-3-5-7-18)29-13-16-8-10-17(22)11-9-16/h3-11H,12-13H2,1-2H3InChIKey
WPCMFJAMYNPZCK-UHFFFAOYSA-NSynonyms
1005626-41-41005626414
3((4BROMO35DIMETHYLPYRAZOL1YL)METHYL)5((4BROMOPHENYL)METHYLSULFANYL)4PHENYL124TRIAZOLE
3((4BROMOBENZYL)SULFANYL)5((4BROMO35DIMETHYL1HPYRAZOL1YL)METHYL)4PHENYL4H124TRIAZOLE
CC1=C(C(=NN1CC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)Br)C)Br
InChI=1SC21H19Br2N5Sc11420(23)15(2)27(2614)1219242521(28(19)186435718)29131681017(22)11916h311H1213H212H3
MFCD04050688
ZINC000002786347
ZINC2786347
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