Vitas-M small molecule compound
1-{3,5-bis[(4-methoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}-2-methylpropan-1-one
Catalog ID
STK178828
SMILES COc1ccc(cc1)CNc1nn(c(n1)NCc1ccc(cc1)OC)C(=O)C(C)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 C22H27N5O3 MW 409.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N5O3/c1-15(2)20(28)27-22(24-14-17-7-11-19(30-4)12-8-17)25-21(26-27)23-13-16-5-9-18(29-3)10-6-16/h5-12,15H,13-14H2,1-4H3,(H2,23,24,25,26)InChIKey
BYCQDTGYTYVQBS-UHFFFAOYSA-NSynonyms
1(35BIS((4METHOXYBENZYL)AMINO)1H124TRIAZOL1YL)2METHYLPROPAN1ONE
1(35BIS((4METHOXYPHENYL)METHYLAMINO)124TRIAZOL1YL)2METHYLPROPAN1ONE
CC(C)C(=O)N1C(=NC(=N1)NCC2=CC=C(C=C2)OC)NCC3=CC=C(C=C3)OC
InChI=1SC22H27N5O3c115(2)20(28)2722(24141771119(304)12817)2521(2627)2313165918(293)10616h51215H1314H214H3(H223242526)
MFCD06663904
ZINC000004704909
ZINC04704909
ZINC4704909
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