Vitas-M small molecule compound

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

Catalog ID
STL054684
SMILES Cc1ccc(cc1)n1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1c1cnccn1

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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 C20H16N6O2S MW 404.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N6O2S/c1-14-2-6-16(7-3-14)25-19(18-12-21-10-11-22-18)23-24-20(25)29-13-15-4-8-17(9-5-15)26(27)28/h2-12H,13H2,1H3
InChIKey
CUOXXKNVAOUNCB-UHFFFAOYSA-N
Synonyms
879443-01-3
2(4(4METHYLPHENYL)5(((4NITROPHENYL)METHYL)SULFANYL)4H124TRIAZOL3YL)PYRAZINE
2(4(4methylphenyl)5((4nitrobenzyl)sulfanyl)4H124triazol3yl)pyrazine
2(4(4METHYLPHENYL)5((4NITROPHENYL)METHYLSULFANYL)124TRIAZOL3YL)PYRAZINE
2(5((4nitrobenzyl)thio)4(ptolyl)4H124triazol3yl)pyrazine
4(4METHYLPHENYL)3((4NITROPHENYL)METHYLTHIO)5PYRAZIN2YL124TRIAZOLE
879443013
CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)(N+)(=O)(O))C4=NC=CN=C4
Cc1ccc(cc1)n1c(SCc2ccc(cc2)(N+)(=O)(O))nnc1c1cnccn1
InChI=1SC20H16N6O2Sc1142616(7314)2519(18122110112218)232420(25)2913154817(9515)26(27)28h212H13H21H3
MFCD06597968
ZINC000002212713
ZINC02212713
ZINC2212713

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Available files

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