Vitas-M small molecule compound

methyl 2-[({4-[(methylsulfonyl)(prop-2-en-1-yl)amino]phenyl}carbonyl)amino]benzoate

Catalog ID
STK358173
SMILES C=CCN(S(=O)(=O)C)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)OC

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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 C19H20N2O5S MW 388.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N2O5S/c1-4-13-21(27(3,24)25)15-11-9-14(10-12-15)18(22)20-17-8-6-5-7-16(17)19(23)26-2/h4-12H,1,13H2,2-3H3,(H,20,22)
InChIKey
MCCJULNWMGRLSW-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)N(CC=C)S(=O)(=O)C
InChI=1SC19H20N2O5Sc141321(27(324)25)1511914(101215)18(22)2017865716(17)19(23)262h412H113H223H3(H2022)
METHYL2(((4((METHYLSULFONYL)(PROP2EN1YL)AMINO)PHENYL)CARBONYL)AMINO)BENZOATE
METHYL2((4((METHYLSULFONYL)(PROP2EN1YL)AMINO)BENZOYL)AMINO)BENZOATE
METHYL2((4(METHYLSULFONYL(PROP2ENYL)AMINO)BENZOYL)AMINO)BENZOATE
MFCD05996320
ZINC000001116444
ZINC01116444
ZINC1116444

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Available files

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