Vitas-M small molecule compound

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

Catalog ID
STK807005
SMILES CCn1c(nnc1SCc1ccc(cc1)[N+](=O)[O-])Cc1nnc(n1CC)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 C23H24N8O4S2 MW 540.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N8O4S2/c1-3-28-20(24-26-22(28)36-14-16-5-9-18(10-6-16)30(32)33)13-21-25-27-23(29(21)4-2)37-15-17-7-11-19(12-8-17)31(34)35/h5-12H,3-4,13-15H2,1-2H3
InChIKey
TUWPQPZSHGLRRG-UHFFFAOYSA-N
Synonyms

33methanediylbis(4ethyl5((4nitrobenzyl)sulfanyl)4H124triazole)
4ETHYL3((4ETHYL5((4NITROPHENYL)METHYLSULFANYL)124TRIAZOL3YL)METHYL)5((4NITROPHENYL)METHYLSULFANYL)124TRIAZOLE
4ETHYL5((4ETHYL5((4NITROPHENYL)METHYLTHIO)(124TRIAZOL3YL))METHYL)3((4NITROPHENYL)METHYLTHIO)124TRIAZOLE
CCN1C(=NN=C1SCC2=CC=C(C=C2)(N+)(=O)(O))CC3=NN=C(N3CC)SCC4=CC=C(C=C4)(N+)(=O)(O)
CCn1c(nnc1SCc1ccc(cc1)(N+)(=O)(O))Cc1nnc(n1CC)SCc1ccc(cc1)(N+)(=O)(O)
InChI=1SC23H24N8O4S2c132820(242622(28)3614165918(10616)30(32)33)1321252723(29(21)42)37151771119(12817)31(34)35h512H341315H212H3
MFCD03621148
ZINC000002701978
ZINC2701978

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Available files

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