Vitas-M small molecule compound

methyl 2-chloro-5-{[N-(4-ethylphenyl)-N-(methylsulfonyl)glycyl]amino}benzoate

Catalog ID
STL061840
SMILES CCc1ccc(cc1)N(S(=O)(=O)C)CC(=O)Nc1ccc(c(c1)C(=O)OC)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 C19H21ClN2O5S MW 424.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21ClN2O5S/c1-4-13-5-8-15(9-6-13)22(28(3,25)26)12-18(23)21-14-7-10-17(20)16(11-14)19(24)27-2/h5-11H,4,12H2,1-3H3,(H,21,23)
InChIKey
NAYZZNSRBFINDW-UHFFFAOYSA-N
Synonyms

CCC1=CC=C(C=C1)N(CC(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC)S(=O)(=O)C
InChI=1SC19H21ClN2O5Sc14135815(9613)22(28(325)26)1218(23)211471017(20)16(1114)19(24)272h511H412H213H3(H2123)
METHYL2CHLORO5((2(4ETHYLNMETHYLSULFONYLANILINO)ACETYL)AMINO)BENZOATE
methyl2chloro5((N(4ethylphenyl)N(methylsulfonyl)glycyl)amino)benzoate
MFCD04361406
ZINC000002851750
ZINC02851750
ZINC2851750

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Available files

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