Vitas-M small molecule compound

4-(2,4-dimethoxyphenyl)-5-{3-[(4-nitrophenoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol

Catalog ID
STL173913
SMILES COc1ccc(c(c1)OC)n1c(S)nnc1c1cccc(c1)COc1ccc(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 C23H20N4O5S MW 464.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O5S/c1-30-19-10-11-20(21(13-19)31-2)26-22(24-25-23(26)33)16-5-3-4-15(12-16)14-32-18-8-6-17(7-9-18)27(28)29/h3-13H,14H2,1-2H3,(H,25,33)
InChIKey
VWNKSJIWZHZAAY-UHFFFAOYSA-N
Synonyms
828288-58-0
4(24DIMETHOXYPHENYL)3(3((4NITROPHENOXY)METHYL)PHENYL)1H124TRIAZOLE5THIONE
4(24dimethoxyphenyl)5(3((4nitrophenoxy)methyl)phenyl)4H124triazole3thiol
828288580
COC1=CC(=C(C=C1)N2C(=NNC2=S)C3=CC(=CC=C3)COC4=CC=C(C=C4)(N+)(=O)(O))OC
COc1ccc(c(c1)OC)n1c(S)nnc1c1cccc(c1)COc1ccc(cc1)(N+)(=O)(O)
InChI=1SC23H20N4O5Sc13019101120(21(1319)312)2622(242523(26)33)1653415(1216)1432188617(7918)27(28)29h313H14H212H3(H2533)
MFCD04056623
ZINC000002793101
ZINC2793101

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Available files

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