Vitas-M small molecule compound

methyl 4-methyl-3-{[(4-methyl-3-nitrophenyl)sulfonyl]amino}benzoate

Catalog ID
STL259387
SMILES COC(=O)c1ccc(c(c1)NS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C)C

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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 C16H16N2O6S MW 364.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O6S/c1-10-4-6-12(16(19)24-3)8-14(10)17-25(22,23)13-7-5-11(2)15(9-13)18(20)21/h4-9,17H,1-3H3
InChIKey
PHOUKODAUMRZRQ-UHFFFAOYSA-N
Synonyms

CC1=C(C=C(C=C1)C(=O)OC)NS(=O)(=O)C2=CC(=C(C=C2)C)(N+)(=O)(O)
COC(=O)c1ccc(c(c1)NS(=O)(=O)c1ccc(c(c1)(N+)(=O)(O))C)C
InChI=1SC16H16N2O6Sc1104612(16(19)243)814(10)1725(2223)137511(2)15(913)18(20)21h4917H13H3
methyl4methyl3(((4methyl3nitrophenyl)sulfonyl)amino)benzoate
METHYL4METHYL3((4METHYL3NITROPHENYL)SULFONYLAMINO)BENZOATE
MFCD03706498
ZINC000004817987
ZINC4817987

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Available files

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