Vitas-M small molecule compound

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

Catalog ID
STK031463
SMILES [O-][N+](=O)c1ccc(cc1)CSc1nnc[nH]1

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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 C9H8N4O2S MW 236.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H8N4O2S/c14-13(15)8-3-1-7(2-4-8)5-16-9-10-6-11-12-9/h1-4,6H,5H2,(H,10,11,12)
InChIKey
GAPVDAUIUSONCC-UHFFFAOYSA-N
Synonyms
296272-93-0
(O)(N+)(=O)c1ccc(cc1)CSc1nnc(nH)1
124TRIAZOLE3(4NITROBENZYLTHIO)
296272930
3((4NITROBENZYL)SULFANYL)4H124TRIAZOLE
3((4nitrobenzyl)thio)4H124triazole
3((4NITROPHENYL)METHYLSULFANYL)4H124TRIAZOLE
3(4NITROBENZYLSULFANYL)4H(124)TRIAZOLE
4NITROBENZYL1H124TRIAZOL3YLSULFIDE
5((4NITROPHENYL)METHYLSULFANYL)1H124TRIAZOLE
C1=CC(=CC=C1CSC2=NC=NN2)(N+)(=O)(O)
InChI=1SC9H8N4O2Sc1413(15)8317(248)516910611129h146H5H2(H101112)
MFCD00539999
STK031463
ZINC000018286442
ZINC18286442

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Available files

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