Vitas-M small molecule compound

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

Catalog ID
STL071418
SMILES [O-][N+](=O)c1ccc(cc1)CS(=O)(=O)c1nnc[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 C9H8N4O4S MW 268.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H8N4O4S/c14-13(15)8-3-1-7(2-4-8)5-18(16,17)9-10-6-11-12-9/h1-4,6H,5H2,(H,10,11,12)
InChIKey
JWQCDIQVGAMYKJ-UHFFFAOYSA-N
Synonyms
339105-78-1
(O)(N+)(=O)c1ccc(cc1)CS(=O)(=O)c1n(nH)cn1
(O)(N+)(=O)c1ccc(cc1)CS(=O)(=O)c1nnc(nH)1
3((4nitrobenzyl)sulfonyl)1H124triazole
3((4nitrobenzyl)sulfonyl)4H124triazole
339105781
4NITROBENZYL1H124TRIAZOL3YLSULFONE
5((4NITROPHENYL)METHYLSULFONYL)1H124TRIAZOLE
C1=CC(=CC=C1CS(=O)(=O)C2=NC=NN2)(N+)(=O)(O)
InChI=1SC9H8N4O4Sc1413(15)8317(248)518(1617)910611129h146H5H2(H101112)
MFCD09426396
ZINC000009142798
ZINC9142798

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Available files

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