Vitas-M small molecule compound
1-{3,5-bis[(4-bromobenzyl)amino]-1H-1,2,4-triazol-1-yl}propan-1-one
Catalog ID
STK169837
SMILES CCC(=O)n1nc(nc1NCc1ccc(cc1)Br)NCc1ccc(cc1)Br
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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 C19H19Br2N5O MW 493.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19Br2N5O/c1-2-17(27)26-19(23-12-14-5-9-16(21)10-6-14)24-18(25-26)22-11-13-3-7-15(20)8-4-13/h3-10H,2,11-12H2,1H3,(H2,22,23,24,25)InChIKey
CDOZRNVODPRRDH-UHFFFAOYSA-NSynonyms
1(35BIS((4BROMOBENZYL)AMINO)1H124TRIAZOL1YL)PROPAN1ONE
1(35bis((4bromophenyl)methylamino)124triazol1yl)propan1one
CCC(=O)N1C(=NC(=N1)NCC2=CC=C(C=C2)Br)NCC3=CC=C(C=C3)Br
InChI=1SC19H19Br2N5Oc1217(27)2619(2312145916(21)10614)2418(2526)2211133715(20)8413h310H21112H21H3(H222232425)
MFCD06663367
ZINC000009847113
ZINC09847113
ZINC9847113
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