Vitas-M small molecule compound
4,5-diphenyl-4H-1,2,4-triazol-3-yl (1E)-N-(4-nitrophenyl)-2-oxo-2-phenylethanehydrazonothioate
Catalog ID
STL329900
SMILES O=C(/C(=N\Nc1ccc(cc1)[N+](=O)[O-])/Sc1nnc(n1c1ccccc1)c1ccccc1)c1ccccc1
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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 C28H20N6O3S MW 520.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20N6O3S/c35-25(20-10-4-1-5-11-20)27(31-29-22-16-18-24(19-17-22)34(36)37)38-28-32-30-26(21-12-6-2-7-13-21)33(28)23-14-8-3-9-15-23/h1-19,29H/b31-27+InChIKey
PBSBYHQPPHEEKS-TVKQRKNISA-NSynonyms
(45DIPHENYL124TRIAZOL3YL)(1E)N(4NITROANILINO)2OXO2PHENYLETHANIMIDOTHIOATE
(E)45diphenyl4H124triazol3ylN(4nitrophenyl)2oxo2phenylethanehydrazonothioate
45diphenyl4H124triazol3yl(1E)N(4nitrophenyl)2oxo2phenylethanehydrazonothioate
C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SC(=NNC4=CC=C(C=C4)(N+)(=O)(O))C(=O)C5=CC=CC=C5
InChI=1SC28H20N6O3Sc3525(20104151120)27(312922161824(191722)34(36)37)3828323026(21126271321)33(28)23148391523h11929Hb3127+
MFCD02039571
O=C(C(=NNc1ccc(cc1)(N+)(=O)(O))Sc1nnc(n1c1ccccc1)c1ccccc1)c1ccccc1
ZINC000100766898
ZINC101362424
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