Vitas-M small molecule compound
1-{3,5-bis[(4-methylbenzyl)amino]-1H-1,2,4-triazol-1-yl}butan-1-one
Catalog ID
STK178944
SMILES CCCC(=O)n1nc(nc1NCc1ccc(cc1)C)NCc1ccc(cc1)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 C22H27N5O MW 377.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N5O/c1-4-5-20(28)27-22(24-15-19-12-8-17(3)9-13-19)25-21(26-27)23-14-18-10-6-16(2)7-11-18/h6-13H,4-5,14-15H2,1-3H3,(H2,23,24,25,26)InChIKey
XHQXUKHQCAKHEB-UHFFFAOYSA-NSynonyms
1(35BIS((4METHYLBENZYL)AMINO)1H124TRIAZOL1YL)BUTAN1ONE
1(35BIS((4METHYLPHENYL)METHYLAMINO)124TRIAZOL1YL)BUTAN1ONE
CCCC(=O)N1C(=NC(=N1)NCC2=CC=C(C=C2)C)NCC3=CC=C(C=C3)C
InChI=1SC22H27N5Oc14520(28)2722(24151912817(3)91319)2521(2627)23141810616(2)71118h613H451415H213H3(H223242526)
MFCD06664009
ZINC000004704920
ZINC04704920
ZINC4704920
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