Vitas-M small molecule compound
1-[4-(4-bromophenyl)-1-(4-methylphenyl)-5-(3-methylthiophen-2-yl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethanone
Catalog ID
STK510759
SMILES Cc1ccc(cc1)N1N=C(N(C1c1sccc1C)c1ccc(cc1)Br)C(=O)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 C22H20BrN3OS MW 454.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrN3OS/c1-14-4-8-19(9-5-14)26-22(20-15(2)12-13-28-20)25(21(24-26)16(3)27)18-10-6-17(23)7-11-18/h4-13,22H,1-3H3InChIKey
GEYYPQXWJGIITF-UHFFFAOYSA-NSynonyms
1(4(4bromophenyl)1(4methylphenyl)5(3methylthiophen2yl)45dihydro1H124triazol3yl)ethanone
1(4(4BROMOPHENYL)2(4METHYLPHENYL)3(3METHYLTHIOPHEN2YL)3H124TRIAZOL5YL)ETHANONE
CC1=CC=C(C=C1)N2C(N(C(=N2)C(=O)C)C3=CC=C(C=C3)Br)C4=C(C=CS4)C
InChI=1SC22H20BrN3OSc1144819(9514)2622(2015(2)12132820)25(21(2426)16(3)27)1810617(23)71118h41322H13H3
MFCD05134673
ZINC000016292854
ZINC000016292855
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