Vitas-M small molecule compound

1-methyl-3-nitro-5-(phenylsulfonyl)-1H-1,2,4-triazole

Catalog ID
STK522312
SMILES Cn1nc(nc1S(=O)(=O)c1ccccc1)[N+](=O)[O-]

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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/c1-12-9(10-8(11-12)13(14)15)18(16,17)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey
NQMYDGNBEGTWPS-UHFFFAOYSA-N
Synonyms
1040704-41-3
1040704413
1methyl3nitro5(phenylsulfonyl)1H124triazole
5(benzenesulfonyl)1methyl3nitro124triazole
CN1C(=NC(=N1)(N+)(=O)(O))S(=O)(=O)C2=CC=CC=C2
Cn1nc(nc1S(=O)(=O)c1ccccc1)(N+)(=O)(O)
InChI=1SC9H8N4O4Sc1129(108(1112)13(14)15)18(1617)7532467h26H1H3
MFCD11696058
ZINC000019828170
ZINC19828170

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Available files

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