Vitas-M small molecule compound
1-{3,5-bis[(4-methoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}propan-1-one
Catalog ID
STK169712
SMILES COc1ccc(cc1)CNc1nn(c(n1)NCc1ccc(cc1)OC)C(=O)CC
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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 C21H25N5O3 MW 395.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N5O3/c1-4-19(27)26-21(23-14-16-7-11-18(29-3)12-8-16)24-20(25-26)22-13-15-5-9-17(28-2)10-6-15/h5-12H,4,13-14H2,1-3H3,(H2,22,23,24,25)InChIKey
LDQDKGSXDIKPCL-UHFFFAOYSA-NSynonyms
1(35BIS((4METHOXYBENZYL)AMINO)1H124TRIAZOL1YL)PROPAN1ONE
1(35BIS((4METHOXYPHENYL)METHYLAMINO)124TRIAZOL1YL)PROPAN1ONE
CCC(=O)N1C(=NC(=N1)NCC2=CC=C(C=C2)OC)NCC3=CC=C(C=C3)OC
InChI=1SC21H25N5O3c1419(27)2621(23141671118(293)12816)2420(2526)2213155917(282)10615h512H41314H213H3(H222232425)
MFCD06663267
ZINC000004703219
ZINC04703219
ZINC4703219
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