Vitas-M small molecule compound
1-{3,5-bis[(2-chlorobenzyl)amino]-1H-1,2,4-triazol-1-yl}-2-methylpropan-1-one
Catalog ID
STK178906
SMILES CC(C(=O)n1nc(nc1NCc1ccccc1Cl)NCc1ccccc1Cl)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 C20H21Cl2N5O MW 418.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21Cl2N5O/c1-13(2)18(28)27-20(24-12-15-8-4-6-10-17(15)22)25-19(26-27)23-11-14-7-3-5-9-16(14)21/h3-10,13H,11-12H2,1-2H3,(H2,23,24,25,26)InChIKey
VAHZVYRTRCHUGN-UHFFFAOYSA-NSynonyms
1(35BIS((2CHLOROBENZYL)AMINO)1H124TRIAZOL1YL)2METHYLPROPAN1ONE
1(35BIS((2CHLOROPHENYL)METHYLAMINO)124TRIAZOL1YL)2METHYLPROPAN1ONE
CC(C)C(=O)N1C(=NC(=N1)NCC2=CC=CC=C2Cl)NCC3=CC=CC=C3Cl
InChI=1SC20H21Cl2N5Oc113(2)18(28)2720(2412158461017(15)22)2519(2627)231114735916(14)21h31013H1112H212H3(H223242526)
MFCD06663975
ZINC000004704916
ZINC04704916
ZINC4704916
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