Vitas-M small molecule compound
1-[3,5-bis(benzylamino)-1H-1,2,4-triazol-1-yl]-3-methylbutan-1-one
Catalog ID
STK187569
SMILES CC(CC(=O)n1nc(nc1NCc1ccccc1)NCc1ccccc1)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 C21H25N5O MW 363.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N5O/c1-16(2)13-19(27)26-21(23-15-18-11-7-4-8-12-18)24-20(25-26)22-14-17-9-5-3-6-10-17/h3-12,16H,13-15H2,1-2H3,(H2,22,23,24,25)InChIKey
YTZOXHHQTYPRDS-UHFFFAOYSA-NSynonyms
1(35BIS(BENZYLAMINO)124TRIAZOL1YL)3METHYLBUTAN1ONE
1(35BIS(BENZYLAMINO)1H124TRIAZOL1YL)3METHYLBUTAN1ONE
CC(C)CC(=O)N1C(=NC(=N1)NCC2=CC=CC=C2)NCC3=CC=CC=C3
InChI=1SC21H25N5Oc116(2)1319(27)2621(231518117481218)2420(2526)22141795361017h31216H1315H212H3(H222232425)
MFCD06664548
ZINC000004723808
ZINC04723808
ZINC4723808
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