Vitas-M small molecule compound

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

Catalog ID
STK946894
SMILES COC(=O)c1ccc(cc1)NC(=O)CN(S(=O)(=O)C)c1ccc(c(c1)Cl)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 C18H19ClN2O5S MW 410.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19ClN2O5S/c1-12-4-9-15(10-16(12)19)21(27(3,24)25)11-17(22)20-14-7-5-13(6-8-14)18(23)26-2/h4-10H,11H2,1-3H3,(H,20,22)
InChIKey
OEQDDLAOXVCLIA-UHFFFAOYSA-N
Synonyms

CC1=C(C=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C)Cl
InChI=1SC18H19ClN2O5Sc1124915(1016(12)19)21(27(324)25)1117(22)20147513(6814)18(23)262h410H11H213H3(H2022)
METHYL4((2(3CHLORO4METHYLNMETHYLSULFONYLANILINO)ACETYL)AMINO)BENZOATE
methyl4((N(3chloro4methylphenyl)N(methylsulfonyl)glycyl)amino)benzoate
MFCD04372354
ZINC000002850944
ZINC02850944
ZINC2850944

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Available files

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