Vitas-M small molecule compound
4-benzyl-3-[(4-bromobenzyl)sulfanyl]-5-(4-nitrophenyl)-4H-1,2,4-triazole
Catalog ID
STK126189
SMILES Brc1ccc(cc1)CSc1nnc(n1Cc1ccccc1)c1ccc(cc1)[N+](=O)[O-]
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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 C22H17BrN4O2S MW 481.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17BrN4O2S/c23-19-10-6-17(7-11-19)15-30-22-25-24-21(18-8-12-20(13-9-18)27(28)29)26(22)14-16-4-2-1-3-5-16/h1-13H,14-15H2InChIKey
WQVJZVGYCTZHDC-UHFFFAOYSA-NSynonyms
4BENZYL3((4BROMOBENZYL)SULFANYL)5(4NITROPHENYL)4H124TRIAZOLE
4BENZYL3((4BROMOPHENYL)METHYLSULFANYL)5(4NITROPHENYL)124TRIAZOLE
Brc1ccc(cc1)CSc1nnc(n1Cc1ccccc1)c1ccc(cc1)(N+)(=O)(O)
C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)Br)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC22H17BrN4O2Sc231910617(71119)153022252421(1881220(13918)27(28)29)26(22)14164213516h113H1415H2
MFCD03877038
ZINC000012630844
ZINC12630844
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