Vitas-M small molecule compound

methyl 2-chloro-5-{[N-(3,5-dimethylphenyl)-N-(methylsulfonyl)glycyl]amino}benzoate

Catalog ID
STL113437
SMILES COC(=O)c1cc(ccc1Cl)NC(=O)CN(S(=O)(=O)C)c1cc(C)cc(c1)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 C19H21ClN2O5S MW 424.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21ClN2O5S/c1-12-7-13(2)9-15(8-12)22(28(4,25)26)11-18(23)21-14-5-6-17(20)16(10-14)19(24)27-3/h5-10H,11H2,1-4H3,(H,21,23)
InChIKey
UWJRTBPGFIGVRB-UHFFFAOYSA-N
Synonyms

CC1=CC(=CC(=C1)N(CC(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC)S(=O)(=O)C)C
InChI=1SC19H21ClN2O5Sc112713(2)915(812)22(28(425)26)1118(23)21145617(20)16(1014)19(24)273h510H11H214H3(H2123)
METHYL2CHLORO5((2(35DIMETHYLNMETHYLSULFONYLANILINO)ACETYL)AMINO)BENZOATE
methyl2chloro5((N(35dimethylphenyl)N(methylsulfonyl)glycyl)amino)benzoate
MFCD04369435
ZINC000002850983
ZINC02850983
ZINC2850983

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Available files

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