Vitas-M small molecule compound

4-chloro-3-nitro-5-sulfamoylbenzoic acid

Catalog ID
STK895088
SMILES OC(=O)c1cc([N+](=O)[O-])c(c(c1)S(=O)(=O)N)Cl

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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 C7H5ClN2O6S MW 280.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C7H5ClN2O6S/c8-6-4(10(13)14)1-3(7(11)12)2-5(6)17(9,15)16/h1-2H,(H,11,12)(H2,9,15,16)
InChIKey
ACYLUAGCBGTEJF-UHFFFAOYSA-N
Synonyms
22892-96-2
22892962
2CHLORO3NITRO5CARBOXYBENZENESULPHONAMIDE
3(AMINOSULFONYL)4CHLORO5NITROBENZOICACID
3NITRO4CHLORO5SULFAMOYLBENZOICACID
4CHLORANYL3NITRO5SULFAMOYLBENZOICACID
4chloro3nitro5sulfamoylbenzoicacid
4CHLORO3NITRO5SULPHAMOYLBENZOICACID
4CHLORO3NITRO5SULPHAMYLBENZOICACID
4CHLORO5NITRO3SULFAMOYLBENZOICACID
5AMINOSULFONYL4CHLORO3NITROBENZOICACID
BENZOICACID3(AMINOSULFONYL)4CHLORO5NITRO
C1=C(C=C(C(=C1(N+)(=O)(O))Cl)S(=O)(=O)N)C(=O)O
InChI=1SC7H5ClN2O6Sc864(10(13)14)13(7(11)12)25(6)17(915)16h12H(H1112)(H291516)
MFCD00058688
OC(=O)c1cc((N+)(=O)(O))c(c(c1)S(=O)(=O)N)Cl
ZINC000004521326
ZINC4521326

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Available files

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