Vitas-M small molecule compound

1-nitro-2-[(1E)-prop-1-en-1-ylsulfonyl]benzene

Catalog ID
STK177368
SMILES C/C=C/S(=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 C9H9NO4S MW 227.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H9NO4S/c1-2-7-15(13,14)9-6-4-3-5-8(9)10(11)12/h2-7H,1H3/b7-2+
InChIKey
DYFLJXLKEPEEOF-FARCUNLSSA-N
Synonyms

1NITRO2((1E)PROP1EN1YLSULFONYL)BENZENE
1NITRO2((E)PROP1ENYL)SULFONYLBENZENE
CC=CS(=O)(=O)C1=CC=CC=C1(N+)(=O)(O)
CC=CS(=O)(=O)c1ccccc1(N+)(=O)(O)
InChI=1SC9H9NO4Sc12715(1314)964358(9)10(11)12h27H1H3b72+
MFCD01218626
ZINC000000458866
ZINC00458866
ZINC458866

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.