Vitas-M small molecule compound
1-{3-[(4-bromophenoxy)methyl]-4-(prop-2-en-1-yl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}-3,3-dimethylbutan-2-one
Catalog ID
STL271985
SMILES C=CCn1c(COc2ccc(cc2)Br)nn(c1=S)CC(=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 C18H22BrN3O2S MW 424.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22BrN3O2S/c1-5-10-21-16(12-24-14-8-6-13(19)7-9-14)20-22(17(21)25)11-15(23)18(2,3)4/h5-9H,1,10-12H2,2-4H3InChIKey
KEFVXOZBFDUXHD-UHFFFAOYSA-NSynonyms
1(3((4bromophenoxy)methyl)4(prop2en1yl)5thioxo45dihydro1H124triazol1yl)33dimethylbutan2one
1(3((4BROMOPHENOXY)METHYL)4PROP2ENYL5SULFANYLIDENE124TRIAZOL1YL)33DIMETHYLBUTAN2ONE
1(3((4BROMOPHENOXY)METHYL)4PROP2ENYL5THIOXO(124TRIAZOLINYL))33DIMETHYLBUTAN2ONE
CC(C)(C)C(=O)CN1C(=S)N(C(=N1)COC2=CC=C(C=C2)Br)CC=C
InChI=1SC18H22BrN3O2Sc15102116(1224148613(19)7914)2022(17(21)25)1115(23)18(23)4h59H11012H224H3
MFCD06736311
ZINC000016768910
ZINC16768910
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