Vitas-M small molecule compound

3-(acetylamino)benzenesulfonate

Catalog ID
STK379547
SMILES CC(=O)Nc1cccc(c1)S(=O)(=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 C8H8NO4S MW 214.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H9NO4S/c1-6(10)9-7-3-2-4-8(5-7)14(11,12)13/h2-5H,1H3,(H,9,10)(H,11,12,13)/p-1
InChIKey
OEGZBWNHMRHQKV-UHFFFAOYSA-M
Synonyms

3(acetylamino)benzenesulfonate
3ACETAMIDOBENZENESULFONATE
CC(=O)NC1=CC(=CC=C1)S(=O)(=O)(O)
CC(=O)Nc1cccc(c1)S(=O)(=O)(O)
InChI=1SC8H9NO4Sc16(10)973248(57)14(1112)13h25H1H3(H910)(H111213)p1
MFCD00661281
ZINC000002027551
ZINC02027551

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Available files

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