Vitas-M small molecule compound
1-{3,5-bis[(4-bromobenzyl)amino]-1H-1,2,4-triazol-1-yl}-2-methylpropan-1-one
Catalog ID
STK169839
SMILES Brc1ccc(cc1)CNc1nc(n(n1)C(=O)C(C)C)NCc1ccc(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 C20H21Br2N5O MW 507.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21Br2N5O/c1-13(2)18(28)27-20(24-12-15-5-9-17(22)10-6-15)25-19(26-27)23-11-14-3-7-16(21)8-4-14/h3-10,13H,11-12H2,1-2H3,(H2,23,24,25,26)InChIKey
OTBMFPDJLSGXPE-UHFFFAOYSA-NSynonyms
1(35BIS((4BROMOBENZYL)AMINO)1H124TRIAZOL1YL)2METHYLPROPAN1ONE
1(35bis((4bromophenyl)methylamino)124triazol1yl)2methylpropan1one
CC(C)C(=O)N1C(=NC(=N1)NCC2=CC=C(C=C2)Br)NCC3=CC=C(C=C3)Br
InChI=1SC20H21Br2N5Oc113(2)18(28)2720(2412155917(22)10615)2519(2627)2311143716(21)8414h31013H1112H212H3(H223242526)
MFCD06663369
ZINC000009847115
ZINC09847115
ZINC9847115
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