Vitas-M small molecule compound

N-cyclohexyl-2-{[N-(methylsulfonyl)-N-(3-nitrophenyl)glycyl]amino}benzamide

Catalog ID
STK239524
SMILES O=C(CN(S(=O)(=O)C)c1cccc(c1)[N+](=O)[O-])Nc1ccccc1C(=O)NC1CCCCC1

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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 C22H26N4O6S MW 474.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O6S/c1-33(31,32)25(17-10-7-11-18(14-17)26(29)30)15-21(27)24-20-13-6-5-12-19(20)22(28)23-16-8-3-2-4-9-16/h5-7,10-14,16H,2-4,8-9,15H2,1H3,(H,23,28)(H,24,27)
InChIKey
AVMKWIOOORXVTK-UHFFFAOYSA-N
Synonyms

CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1C(=O)NC2CCCCC2)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC22H26N4O6Sc133(3132)25(171071118(1417)26(29)30)1521(27)242013651219(20)22(28)23168324916h57101416H248915H21H3(H2328)(H2427)
MFCD03253378
NCYCLOHEXYL2((2(NMETHYLSULFONYL3NITROANILINO)ACETYL)AMINO)BENZAMIDE
NCYCLOHEXYL2((N(METHYLSULFONYL)N(3NITROPHENYL)GLYCYL)AMINO)BENZAMIDE
O=C(CN(S(=O)(=O)C)c1cccc(c1)(N+)(=O)(O))Nc1ccccc1C(=O)NC1CCCCC1
ZINC000009225807
ZINC09225807
ZINC9225807

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Available files

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