Vitas-M small molecule compound
1-{3,5-bis[(4-bromobenzyl)amino]-1H-1,2,4-triazol-1-yl}butan-1-one
Catalog ID
STK169838
SMILES CCCC(=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 C20H21Br2N5O MW 507.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21Br2N5O/c1-2-3-18(28)27-20(24-13-15-6-10-17(22)11-7-15)25-19(26-27)23-12-14-4-8-16(21)9-5-14/h4-11H,2-3,12-13H2,1H3,(H2,23,24,25,26)InChIKey
SKNVACDYERIDOV-UHFFFAOYSA-NSynonyms
1(35BIS((4BROMOBENZYL)AMINO)1H124TRIAZOL1YL)BUTAN1ONE
1(35bis((4bromophenyl)methylamino)124triazol1yl)butan1one
CCCC(=O)N1C(=NC(=N1)NCC2=CC=C(C=C2)Br)NCC3=CC=C(C=C3)Br
InChI=1SC20H21Br2N5Oc12318(28)2720(24131561017(22)11715)2519(2627)2312144816(21)9514h411H231213H21H3(H223242526)
MFCD06663368
ZINC000009847114
ZINC09847114
ZINC9847114
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