Vitas-M small molecule compound

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

Catalog ID
STK023817
SMILES Cc1ccc(cc1)n1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1c1ccncc1

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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 C21H17N5O2S MW 403.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O2S/c1-15-2-6-18(7-3-15)25-20(17-10-12-22-13-11-17)23-24-21(25)29-14-16-4-8-19(9-5-16)26(27)28/h2-13H,14H2,1H3
InChIKey
HPIAZVVKWDGLEO-UHFFFAOYSA-N
Synonyms
493003-66-0
4(4(4METHYLPHENYL)5(((4NITROPHENYL)METHYL)SULFANYL)4H124TRIAZOL3YL)PYRIDINE
4(4(4METHYLPHENYL)5((4NITROBENZYL)SULFANYL)4H124TRIAZOL3YL)PYRIDINE
4(4(4METHYLPHENYL)5((4NITROPHENYL)METHYLSULFANYL)124TRIAZOL3YL)PYRIDINE
4(4METHYLPHENYL)3((4NITROPHENYL)METHYLTHIO)5(4PYRIDYL)124TRIAZOLE
4(5((4nitrobenzyl)thio)4(ptolyl)4H124triazol3yl)pyridine
4(5(4NITROBENZYLSULFANYL)4PTOLYL4H(124)TRIAZOL3YL)PYRIDINE
493003660
CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)(N+)(=O)(O))C4=CC=NC=C4
Cc1ccc(cc1)n1c(SCc2ccc(cc2)(N+)(=O)(O))nnc1c1ccncc1
InChI=1SC21H17N5O2Sc1152618(7315)2520(17101222131117)232421(25)2914164819(9516)26(27)28h213H14H21H3
MFCD02226712
STK023817
ZINC000000897304
ZINC00897304
ZINC897304

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Available files

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