Vitas-M small molecule compound

4-(3,4-dimethylphenyl)-3-[(4-nitrobenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazole

Catalog ID
STL375648
SMILES [O-][N+](=O)c1ccc(cc1)CSc1nnc(n1c1ccc(c(c1)C)C)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 C23H20N4O2S MW 416.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O2S/c1-16-8-11-21(14-17(16)2)26-22(19-6-4-3-5-7-19)24-25-23(26)30-15-18-9-12-20(13-10-18)27(28)29/h3-14H,15H2,1-2H3
InChIKey
HYNVVFPSJPGDLE-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1ccc(cc1)CSc1nnc(n1c1ccc(c(c1)C)C)c1ccccc1
4(34dimethylphenyl)3((4nitrobenzyl)sulfanyl)5phenyl4H124triazole
4(34DIMETHYLPHENYL)3((4NITROPHENYL)METHYLSULFANYL)5PHENYL124TRIAZOLE
CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)(N+)(=O)(O))C4=CC=CC=C4)C
InChI=1SC23H20N4O2Sc11681121(1417(16)2)2622(196435719)242523(26)30151891220(131018)27(28)29h314H15H212H3
MFCD03996339
ZINC000002837117
ZINC02837117
ZINC2837117

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Available files

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