Vitas-M small molecule compound

N-[2-(azepan-1-yl)-2-oxoethyl]-4-methyl-N-(3-nitrophenyl)benzenesulfonamide

Catalog ID
STL119549
SMILES Cc1ccc(cc1)S(=O)(=O)N(c1cccc(c1)[N+](=O)[O-])CC(=O)N1CCCCCC1

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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 C21H25N3O5S MW 431.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O5S/c1-17-9-11-20(12-10-17)30(28,29)23(18-7-6-8-19(15-18)24(26)27)16-21(25)22-13-4-2-3-5-14-22/h6-12,15H,2-5,13-14,16H2,1H3
InChIKey
HQDMJEJVEYCVJN-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCCCC2)C3=CC(=CC=C3)(N+)(=O)(O)
Cc1ccc(cc1)S(=O)(=O)N(c1cccc(c1)(N+)(=O)(O))CC(=O)N1CCCCCC1
InChI=1SC21H25N3O5Sc11791120(121017)30(2829)23(1876819(1518)24(26)27)1621(25)221342351422h61215H25131416H21H3
MFCD05986684
N(2(azepan1yl)2oxoethyl)4methylN(3nitrophenyl)benzenesulfonamide
ZINC000002844391
ZINC02844391
ZINC2844391

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Available files

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