Vitas-M small molecule compound
1-{3,5-bis[(3-chlorobenzyl)amino]-1H-1,2,4-triazol-1-yl}-2-methylpropan-1-one
Catalog ID
STK169804
SMILES Clc1cccc(c1)CNc1nn(c(n1)NCc1cccc(c1)Cl)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 C20H21Cl2N5O MW 418.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21Cl2N5O/c1-13(2)18(28)27-20(24-12-15-6-4-8-17(22)10-15)25-19(26-27)23-11-14-5-3-7-16(21)9-14/h3-10,13H,11-12H2,1-2H3,(H2,23,24,25,26)InChIKey
PLDUSRVJCRYBPL-UHFFFAOYSA-NSynonyms
1(35BIS((3CHLOROBENZYL)AMINO)1H124TRIAZOL1YL)2METHYLPROPAN1ONE
1(35BIS((3CHLOROPHENYL)METHYLAMINO)124TRIAZOL1YL)2METHYLPROPAN1ONE
CC(C)C(=O)N1C(=NC(=N1)NCC2=CC(=CC=C2)Cl)NCC3=CC(=CC=C3)Cl
InChI=1SC20H21Cl2N5Oc113(2)18(28)2720(24121564817(22)1015)2519(2627)23111453716(21)914h31013H1112H212H3(H223242526)
MFCD06663337
ZINC000004703231
ZINC04703231
ZINC4703231
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