Vitas-M small molecule compound

butyl 4-{[(2-nitrophenyl)sulfonyl]amino}benzoate

Catalog ID
STK408507
SMILES CCCCOC(=O)c1ccc(cc1)NS(=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 C17H18N2O6S MW 378.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N2O6S/c1-2-3-12-25-17(20)13-8-10-14(11-9-13)18-26(23,24)16-7-5-4-6-15(16)19(21)22/h4-11,18H,2-3,12H2,1H3
InChIKey
ZOBHCJHRTQYLRD-UHFFFAOYSA-N
Synonyms

butyl4(((2nitrophenyl)sulfonyl)amino)benzoate
BUTYL4((2NITROPHENYL)SULFONYLAMINO)BENZOATE
CCCCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2(N+)(=O)(O)
CCCCOC(=O)c1ccc(cc1)NS(=O)(=O)c1ccccc1(N+)(=O)(O)
InChI=1SC17H18N2O6Sc123122517(20)1381014(11913)1826(2324)16754615(16)19(21)22h41118H2312H21H3
MFCD03383981
ZINC000005868312
ZINC5868312

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Available files

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