Vitas-M small molecule compound

2-[(4-methylphenyl)sulfonyl]-5-nitrobenzonitrile

Catalog ID
STK262064
SMILES N#Cc1cc(ccc1S(=O)(=O)c1ccc(cc1)C)[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 C14H10N2O4S MW 302.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H10N2O4S/c1-10-2-5-13(6-3-10)21(19,20)14-7-4-12(16(17)18)8-11(14)9-15/h2-8H,1H3
InChIKey
AHYRPYACQJJOLU-UHFFFAOYSA-N
Synonyms
906211-98-1
2((4METHYLPHENYL)SULFONYL)5NITROBENZENECARBONITRILE
2((4methylphenyl)sulfonyl)5nitrobenzonitrile
2(4methylphenyl)sulfonyl5nitrobenzonitrile
906211981
CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)(N+)(=O)(O))C#N
InChI=1SC14H10N2O4Sc1102513(6310)21(1920)147412(16(17)18)811(14)915h28H1H3
MFCD08547599
N#Cc1cc(ccc1S(=O)(=O)c1ccc(cc1)C)(N+)(=O)(O)
ZINC000009482036
ZINC09482036
ZINC9482036

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Available files

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