Vitas-M small molecule compound
1-{3,5-bis[(2-methoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}butan-1-one
Catalog ID
STK169755
SMILES CCCC(=O)n1nc(nc1NCc1ccccc1OC)NCc1ccccc1OC
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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/c1-4-9-20(28)27-22(24-15-17-11-6-8-13-19(17)30-3)25-21(26-27)23-14-16-10-5-7-12-18(16)29-2/h5-8,10-13H,4,9,14-15H2,1-3H3,(H2,23,24,25,26)InChIKey
LWTWPQWNVJWOEK-UHFFFAOYSA-NSynonyms
1(35BIS((2METHOXYBENZYL)AMINO)1H124TRIAZOL1YL)BUTAN1ONE
1(35BIS((2METHOXYPHENYL)METHYLAMINO)124TRIAZOL1YL)BUTAN1ONE
CCCC(=O)N1C(=NC(=N1)NCC2=CC=CC=C2OC)NCC3=CC=CC=C3OC
InChI=1SC22H27N5O3c14920(28)2722(24151711681319(17)303)2521(2627)23141610571218(16)292h581013H491415H213H3(H223242526)
MFCD06663299
ZINC000004703223
ZINC04703223
ZINC4703223
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