Vitas-M small molecule compound

N-[4-(azepan-1-ylsulfonyl)phenyl]-N~2~-(3,5-dimethylphenyl)-N~2~-(methylsulfonyl)alaninamide

Catalog ID
STL087337
SMILES CC(N(S(=O)(=O)C)c1cc(C)cc(c1)C)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 C24H33N3O5S2 MW 507.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H33N3O5S2/c1-18-15-19(2)17-22(16-18)27(33(4,29)30)20(3)24(28)25-21-9-11-23(12-10-21)34(31,32)26-13-7-5-6-8-14-26/h9-12,15-17,20H,5-8,13-14H2,1-4H3,(H,25,28)
InChIKey
CILRJJLOGOOUFT-UHFFFAOYSA-N
Synonyms

CC1=CC(=CC(=C1)N(C(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)S(=O)(=O)C)C
InChI=1SC24H33N3O5S2c1181519(2)1722(1618)27(33(429)30)20(3)24(28)252191123(121021)34(3132)261375681426h912151720H581314H214H3(H2528)
MFCD05836678
N(4(AZEPAN1YLSULFONYL)PHENYL)2(35DIMETHYLNMETHYLSULFONYLANILINO)PROPANAMIDE
N(4(azepan1ylsulfonyl)phenyl)N~2~(35dimethylphenyl)N~2~(methylsulfonyl)alaninamide
N(4(AZEPAN1YLSULFONYL)PHENYL)N2(35DIMETHYLPHENYL)N2(METHYLSULFONYL)ALANINAMIDE
N(4(AZEPAN1YLSULFONYL)PHENYL)N2(35DIMETHYLPHENYL)N2(METHYLSULFONYL)DALANINAMIDE
N(4(AZEPAN1YLSULFONYL)PHENYL)N2(35DIMETHYLPHENYL)N2(METHYLSULFONYL)LALANINAMIDE
ZINC000002881626
ZINC000002881627

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Available files

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