Vitas-M small molecule compound

N-[2-(2,5-dimethylphenoxy)ethyl]-2-methyl-5-nitrobenzenesulfonamide

Catalog ID
STK244473
SMILES Cc1ccc(c(c1)OCCNS(=O)(=O)c1cc(ccc1C)[N+](=O)[O-])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 C17H20N2O5S MW 364.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N2O5S/c1-12-4-5-13(2)16(10-12)24-9-8-18-25(22,23)17-11-15(19(20)21)7-6-14(17)3/h4-7,10-11,18H,8-9H2,1-3H3
InChIKey
KDKRGQIJHGSXSD-UHFFFAOYSA-N
Synonyms

CC1=CC(=C(C=C1)C)OCCNS(=O)(=O)C2=C(C=CC(=C2)(N+)(=O)(O))C
Cc1ccc(c(c1)OCCNS(=O)(=O)c1cc(ccc1C)(N+)(=O)(O))C
InChI=1SC17H20N2O5Sc1124513(2)16(1012)24981825(2223)171115(19(20)21)7614(17)3h47101118H89H213H3
MFCD05994784
N(2(25dimethylphenoxy)ethyl)2methyl5nitrobenzenesulfonamide
ZINC000005065605
ZINC05065605
ZINC5065605

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Available files

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