Vitas-M small molecule compound

4-benzyl-3-[(3-bromobenzyl)sulfanyl]-5-(4-nitrophenyl)-4H-1,2,4-triazole

Catalog ID
STK125054
SMILES Brc1cccc(c1)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/c23-19-8-4-7-17(13-19)15-30-22-25-24-21(18-9-11-20(12-10-18)27(28)29)26(22)14-16-5-2-1-3-6-16/h1-13H,14-15H2
InChIKey
DLJUWFMDFKKBJJ-UHFFFAOYSA-N
Synonyms

4BENZYL3((3BROMOBENZYL)SULFANYL)5(4NITROPHENYL)4H124TRIAZOLE
4BENZYL3((3BROMOPHENYL)METHYLSULFANYL)5(4NITROPHENYL)124TRIAZOLE
Brc1cccc(c1)CSc1nnc(n1Cc1ccccc1)c1ccc(cc1)(N+)(=O)(O)
C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC(=CC=C3)Br)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC22H17BrN4O2Sc231984717(1319)153022252421(1891120(121018)27(28)29)26(22)14165213616h113H1415H2
MFCD03877079
ZINC000009833674
ZINC09833674
ZINC9833674

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Available files

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