Vitas-M small molecule compound
1-{3,5-bis[(4-bromobenzyl)amino]-1H-1,2,4-triazol-1-yl}ethanone
Catalog ID
STK169836
SMILES Brc1ccc(cc1)CNc1nc(n(n1)C(=O)C)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 C18H17Br2N5O MW 479.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17Br2N5O/c1-12(26)25-18(22-11-14-4-8-16(20)9-5-14)23-17(24-25)21-10-13-2-6-15(19)7-3-13/h2-9H,10-11H2,1H3,(H2,21,22,23,24)InChIKey
KXEGDPATRREKFL-UHFFFAOYSA-NSynonyms
1(35BIS((4BROMOBENZYL)AMINO)1H124TRIAZOL1YL)ETHANONE
1(35bis((4bromophenyl)methylamino)124triazol1yl)ethanone
CC(=O)N1C(=NC(=N1)NCC2=CC=C(C=C2)Br)NCC3=CC=C(C=C3)Br
InChI=1SC18H17Br2N5Oc112(26)2518(2211144816(20)9514)2317(2425)2110132615(19)7313h29H1011H21H3(H221222324)
MFCD06663366
ZINC000009847112
ZINC09847112
ZINC9847112
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