Vitas-M small molecule compound

methyl 3-({N-[(4-fluorophenyl)sulfonyl]-N-phenylglycyl}amino)-4-methylbenzoate

Catalog ID
STL101417
SMILES COC(=O)c1ccc(c(c1)NC(=O)CN(S(=O)(=O)c1ccc(cc1)F)c1ccccc1)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 C23H21FN2O5S MW 456.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21FN2O5S/c1-16-8-9-17(23(28)31-2)14-21(16)25-22(27)15-26(19-6-4-3-5-7-19)32(29,30)20-12-10-18(24)11-13-20/h3-14H,15H2,1-2H3,(H,25,27)
InChIKey
ULEVVVXDDAFZPN-UHFFFAOYSA-N
Synonyms

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F
InChI=1SC23H21FN2O5Sc1168917(23(28)312)1421(16)2522(27)1526(196435719)32(2930)20121018(24)111320h314H15H212H3(H2527)
METHYL3((2(N(4FLUOROPHENYL)SULFONYLANILINO)ACETYL)AMINO)4METHYLBENZOATE
methyl3((N((4fluorophenyl)sulfonyl)Nphenylglycyl)amino)4methylbenzoate
MFCD06625924
ZINC000001058888
ZINC01058888
ZINC1058888

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Available files

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