Vitas-M small molecule compound
{3,5-bis[(3-bromobenzyl)amino]-1H-1,2,4-triazol-1-yl}(thiophen-2-yl)methanone
Catalog ID
STK169874
SMILES Brc1cccc(c1)CNc1nn(c(n1)NCc1cccc(c1)Br)C(=O)c1cccs1
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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 C21H17Br2N5OS MW 547.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17Br2N5OS/c22-16-6-1-4-14(10-16)12-24-20-26-21(25-13-15-5-2-7-17(23)11-15)28(27-20)19(29)18-8-3-9-30-18/h1-11H,12-13H2,(H2,24,25,26,27)InChIKey
DGQRKVUNNMXDDK-UHFFFAOYSA-NSynonyms
(35BIS((3BROMOBENZYL)AMINO)1H124TRIAZOL1YL)(THIOPHEN2YL)METHANONE
(35bis((3bromophenyl)methylamino)124triazol1yl)thiophen2ylmethanone
C1=CC(=CC(=C1)Br)CNC2=NN(C(=N2)NCC3=CC(=CC=C3)Br)C(=O)C4=CC=CS4
InChI=1SC21H17Br2N5OSc221661414(1016)1224202621(25131552717(23)1115)28(2720)19(29)188393018h111H1213H2(H224252627)
MFCD06663399
ZINC000097995282
ZINC97995282
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