Vitas-M small molecule compound

methyl 4-chloro-3-{[N-(3-chlorophenyl)-N-(methylsulfonyl)glycyl]amino}benzoate

Catalog ID
STL118706
SMILES COC(=O)c1ccc(c(c1)NC(=O)CN(S(=O)(=O)C)c1cccc(c1)Cl)Cl

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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 C17H16Cl2N2O5S MW 431.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16Cl2N2O5S/c1-26-17(23)11-6-7-14(19)15(8-11)20-16(22)10-21(27(2,24)25)13-5-3-4-12(18)9-13/h3-9H,10H2,1-2H3,(H,20,22)
InChIKey
VEPBMONFHDXUIJ-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN(C2=CC(=CC=C2)Cl)S(=O)(=O)C
InChI=1SC17H16Cl2N2O5Sc12617(23)116714(19)15(811)2016(22)1021(27(224)25)1353412(18)913h39H10H212H3(H2022)
METHYL4CHLORO3((2(3CHLORONMETHYLSULFONYLANILINO)ACETYL)AMINO)BENZOATE
methyl4chloro3((N(3chlorophenyl)N(methylsulfonyl)glycyl)amino)benzoate
MFCD04356700
ZINC000001117590
ZINC01117590
ZINC1117590

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Available files

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