Vitas-M small molecule compound

methyl 2-methyl-3-{[(3-nitrophenyl)sulfonyl]amino}benzoate

Catalog ID
STL113705
SMILES COC(=O)c1cccc(c1C)NS(=O)(=O)c1cccc(c1)[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 C15H14N2O6S MW 350.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14N2O6S/c1-10-13(15(18)23-2)7-4-8-14(10)16-24(21,22)12-6-3-5-11(9-12)17(19)20/h3-9,16H,1-2H3
InChIKey
QOPPGAMPUCZUJW-UHFFFAOYSA-N
Synonyms

CC1=C(C=CC=C1NS(=O)(=O)C2=CC=CC(=C2)(N+)(=O)(O))C(=O)OC
COC(=O)c1cccc(c1C)NS(=O)(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC15H14N2O6Sc11013(15(18)232)74814(10)1624(2122)1263511(912)17(19)20h3916H12H3
methyl2methyl3(((3nitrophenyl)sulfonyl)amino)benzoate
METHYL2METHYL3((3NITROPHENYL)SULFONYLAMINO)BENZOATE
MFCD06621894
ZINC000005027834
ZINC05027834
ZINC5027834

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Available files

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