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Vitas-M small molecule compound

3,3'-methanediylbis{5-[(4-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole}

Catalog ID
STK543852
SMILES [O-][N+](=O)c1ccc(cc1)CSc1nnc(n1c1ccccc1)Cc1nnc(n1c1ccccc1)SCc1ccc(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 C31H24N8O4S2 MW 636.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H24N8O4S2/c40-38(41)26-15-11-22(12-16-26)20-44-30-34-32-28(36(30)24-7-3-1-4-8-24)19-29-33-35-31(37(29)25-9-5-2-6-10-25)45-21-23-13-17-27(18-14-23)39(42)43/h1-18H,19-21H2
InChIKey
GNEMLRPQDQVRPY-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1ccc(cc1)CSc1nnc(n1c1ccccc1)Cc1nnc(n1c1ccccc1)SCc1ccc(cc1)(N+)(=O)(O)
3((4NITROBENZYL)SULFANYL)5((5((4NITROBENZYL)SULFANYL)4PHENYL4H124TRIAZOL3YL)METHYL)4PHENYL4H124TRIAZOLE
3((4NITROPHENYL)METHYLSULFANYL)5((5((4NITROPHENYL)METHYLSULFANYL)4PHENYL124TRIAZOL3YL)METHYL)4PHENYL124TRIAZOLE
3((4NITROPHENYL)METHYLTHIO)5((5((4NITROPHENYL)METHYLTHIO)4PHENYL(124TRIAZOL3YL))METHYL)4PHENYL124TRIAZOLE
33methanediylbis(5((4nitrobenzyl)sulfanyl)4phenyl4H124triazole)
bis(5((4nitrobenzyl)thio)4phenyl4H124triazol3yl)methane
C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)(N+)(=O)(O))CC4=NN=C(N4C5=CC=CC=C5)SCC6=CC=C(C=C6)(N+)(=O)(O)
InChI=1SC31H24N8O4S2c4038(41)26151122(121626)204430343228(36(30)247314824)1929333531(37(29)2595261025)452123131727(181423)39(42)43h118H1921H2
MFCD02944182
ZINC000008433097
ZINC08433097
ZINC8433097

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Available files

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