Vitas-M small molecule compound

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

Catalog ID
STL032308
SMILES COC(=O)c1ccc(c(c1)NC(=O)CN(S(=O)(=O)C)c1ccc(cc1)I)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 C17H16ClIN2O5S MW 522.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16ClIN2O5S/c1-26-17(23)11-3-8-14(18)15(9-11)20-16(22)10-21(27(2,24)25)13-6-4-12(19)5-7-13/h3-9H,10H2,1-2H3,(H,20,22)
InChIKey
AGVPDOKIKNXBCM-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN(C2=CC=C(C=C2)I)S(=O)(=O)C
InChI=1SC17H16ClIN2O5Sc12617(23)113814(18)15(911)2016(22)1021(27(224)25)136412(19)5713h39H10H212H3(H2022)
METHYL4CHLORO3((2(4IODONMETHYLSULFONYLANILINO)ACETYL)AMINO)BENZOATE
methyl4chloro3((N(4iodophenyl)N(methylsulfonyl)glycyl)amino)benzoate
MFCD04370322
ZINC000002856225
ZINC2856225

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Available files

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