Vitas-M small molecule compound
1-{3,5-bis[(2-chlorobenzyl)amino]-1H-1,2,4-triazol-1-yl}propan-1-one
Catalog ID
STK178904
SMILES CCC(=O)n1nc(nc1NCc1ccccc1Cl)NCc1ccccc1Cl
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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 C19H19Cl2N5O MW 404.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19Cl2N5O/c1-2-17(27)26-19(23-12-14-8-4-6-10-16(14)21)24-18(25-26)22-11-13-7-3-5-9-15(13)20/h3-10H,2,11-12H2,1H3,(H2,22,23,24,25)InChIKey
KYJDSFUWHYNART-UHFFFAOYSA-NSynonyms
1(35BIS((2CHLOROBENZYL)AMINO)1H124TRIAZOL1YL)PROPAN1ONE
1(35BIS((2CHLOROPHENYL)METHYLAMINO)124TRIAZOL1YL)PROPAN1ONE
CCC(=O)N1C(=NC(=N1)NCC2=CC=CC=C2Cl)NCC3=CC=CC=C3Cl
InChI=1SC19H19Cl2N5Oc1217(27)2619(2312148461016(14)21)2418(2526)221113735915(13)20h310H21112H21H3(H222232425)
MFCD06663973
ZINC000004704914
ZINC04704914
ZINC4704914
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