Vitas-M small molecule compound
1-{3,5-bis[(4-fluorobenzyl)amino]-1H-1,2,4-triazol-1-yl}-3-methylbutan-1-one
Catalog ID
STK187601
SMILES Fc1ccc(cc1)CNc1nc(n(n1)C(=O)CC(C)C)NCc1ccc(cc1)F
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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 C21H23F2N5O MW 399.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23F2N5O/c1-14(2)11-19(29)28-21(25-13-16-5-9-18(23)10-6-16)26-20(27-28)24-12-15-3-7-17(22)8-4-15/h3-10,14H,11-13H2,1-2H3,(H2,24,25,26,27)InChIKey
NWHYJBCBZQRNNJ-UHFFFAOYSA-NSynonyms
1(35BIS((4FLUOROBENZYL)AMINO)1H124TRIAZOL1YL)3METHYLBUTAN1ONE
1(35BIS((4FLUOROPHENYL)METHYLAMINO)124TRIAZOL1YL)3METHYLBUTAN1ONE
CC(C)CC(=O)N1C(=NC(=N1)NCC2=CC=C(C=C2)F)NCC3=CC=C(C=C3)F
InChI=1SC21H23F2N5Oc114(2)1119(29)2821(2513165918(23)10616)2620(2728)2412153717(22)8415h31014H1113H212H3(H224252627)
MFCD06664579
ZINC000004723818
ZINC04723818
ZINC4723818
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