Vitas-M small molecule compound
2-(4-bromobenzyl)-5-{[(4-fluorophenyl)amino]methyl}-1,2-dihydro-3H-1,2,4-triazol-3-one
Catalog ID
STK933608
SMILES Fc1ccc(cc1)NCc1nc(=O)n([nH]1)Cc1ccc(cc1)Br
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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 C16H14BrFN4O MW 377.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14BrFN4O/c17-12-3-1-11(2-4-12)10-22-16(23)20-15(21-22)9-19-14-7-5-13(18)6-8-14/h1-8,19H,9-10H2,(H,20,21,23)InChIKey
YDKCJRIXTLALGH-UHFFFAOYSA-NSynonyms
1219555-35-71219555357
2((4bromophenyl)methyl)5((4fluoroanilino)methyl)1H124triazol3one
2(4bromobenzyl)5(((4fluorophenyl)amino)methyl)12dihydro3H124triazol3one
2(4bromobenzyl)5(((4fluorophenyl)amino)methyl)1H124triazol3(2H)one
C1=CC(=CC=C1CN2C(=O)N=C(N2)CNC3=CC=C(C=C3)F)Br
Fc1ccc(cc1)NCc1nc(=O)n((nH)1)Cc1ccc(cc1)Br
InChI=1SC16H14BrFN4Oc17123111(2412)102216(23)2015(2122)919147513(18)6814h1819H910H2(H202123)
MFCD16626583
ZINC000040286863
ZINC40286863
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