Vitas-M small molecule compound

N-[4-(azepan-1-ylsulfonyl)phenyl]-N~2~-(methylsulfonyl)-N~2~-phenylalaninamide

Catalog ID
STL086861
SMILES CC(N(S(=O)(=O)C)c1ccccc1)C(=O)Nc1ccc(cc1)S(=O)(=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 C22H29N3O5S2 MW 479.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N3O5S2/c1-18(25(31(2,27)28)20-10-6-5-7-11-20)22(26)23-19-12-14-21(15-13-19)32(29,30)24-16-8-3-4-9-17-24/h5-7,10-15,18H,3-4,8-9,16-17H2,1-2H3,(H,23,26)
InChIKey
OEHLFDKHDLXFGK-UHFFFAOYSA-N
Synonyms

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)N(C3=CC=CC=C3)S(=O)(=O)C
InChI=1SC22H29N3O5S2c118(25(31(227)28)20106571120)22(26)2319121421(151319)32(2930)241683491724h57101518H34891617H212H3(H2326)
MFCD04361623
N(4(AZAPERHYDROEPINYLSULFONYL)PHENYL)2((METHYLSULFONYL)PHENYLAMINO)PROPANAMIDE
N(4(azepan1ylsulfonyl)phenyl)2(Nmethylsulfonylanilino)propanamide
N(4(azepan1ylsulfonyl)phenyl)N~2~(methylsulfonyl)N~2~phenylalaninamide
N(4(AZEPAN1YLSULFONYL)PHENYL)N2(METHYLSULFONYL)N2PHENYLALANINAMIDE
ZINC000008783024
ZINC000008783025

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Available files

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