Vitas-M small molecule compound

3-{4-(4-ethoxyphenyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine

Catalog ID
STK548106
SMILES CCOc1ccc(cc1)n1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1c1cccnc1

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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 C22H19N5O3S MW 433.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N5O3S/c1-2-30-20-11-9-18(10-12-20)26-21(17-4-3-13-23-14-17)24-25-22(26)31-15-16-5-7-19(8-6-16)27(28)29/h3-14H,2,15H2,1H3
InChIKey
LUAVZPLYDMIAHK-UHFFFAOYSA-N
Synonyms
613227-18-2
3(4(4ETHOXYPHENYL)5(((4NITROPHENYL)METHYL)SULFANYL)4H124TRIAZOL3YL)PYRIDINE
3(4(4ethoxyphenyl)5((4nitrobenzyl)sulfanyl)4H124triazol3yl)pyridine
3(4(4ethoxyphenyl)5((4nitrobenzyl)thio)4H124triazol3yl)pyridine
3(4(4ETHOXYPHENYL)5((4NITROPHENYL)METHYLSULFANYL)124TRIAZOL3YL)PYRIDINE
4ETHOXY1(3((4NITROPHENYL)METHYLTHIO)5(3PYRIDYL)(124TRIAZOL4YL))BENZENE
613227182
CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)(N+)(=O)(O))C4=CN=CC=C4
CCOc1ccc(cc1)n1c(SCc2ccc(cc2)(N+)(=O)(O))nnc1c1cccnc1
InChI=1SC22H19N5O3Sc12302011918(101220)2621(174313231417)242522(26)3115165719(8616)27(28)29h314H215H21H3
MFCD03225144
ZINC000001088282
ZINC01088282
ZINC1088282

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.