Vitas-M small molecule compound
1-{[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethylbutan-2-one
Catalog ID
STK272188
SMILES Brc1cccc(c1)c1nnc(n1c1ccccc1)SCC(=O)C(C)(C)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 C20H20BrN3OS MW 430.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrN3OS/c1-20(2,3)17(25)13-26-19-23-22-18(14-8-7-9-15(21)12-14)24(19)16-10-5-4-6-11-16/h4-12H,13H2,1-3H3InChIKey
XZLQEVNNNXOKSG-UHFFFAOYSA-NSynonyms
1((5(3BROMOPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)33DIMETHYLBUTAN2ONE
1((5(3bromophenyl)4phenyl4H124triazol3yl)sulfanyl)33dimethylbutan2one
CC(C)(C)C(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC(=CC=C3)Br
InChI=1SC20H20BrN3OSc120(23)17(25)132619232218(1487915(21)1214)24(19)16105461116h412H13H213H3
MFCD05857317
ZINC000001428322
ZINC01428322
ZINC1428322
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