Vitas-M small molecule compound

methyl 2-({[4-(pyrrolidin-1-ylsulfonyl)phenoxy]acetyl}amino)benzoate

Catalog ID
STK359791
SMILES COC(=O)c1ccccc1NC(=O)COc1ccc(cc1)S(=O)(=O)N1CCCC1

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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 C20H22N2O6S MW 418.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O6S/c1-27-20(24)17-6-2-3-7-18(17)21-19(23)14-28-15-8-10-16(11-9-15)29(25,26)22-12-4-5-13-22/h2-3,6-11H,4-5,12-14H2,1H3,(H,21,23)
InChIKey
CLPKOBATQIKFFO-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC=CC=C1NC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCCC3
InChI=1SC20H22N2O6Sc12720(24)17623718(17)2119(23)14281581016(11915)29(2526)2212451322h23611H451214H21H3(H2123)
METHYL2(((4(PYRROLIDIN1YLSULFONYL)PHENOXY)ACETYL)AMINO)BENZOATE
METHYL2((2(4PYRROLIDIN1YLSULFONYLPHENOXY)ACETYL)AMINO)BENZOATE
MFCD05237722
ZINC000000800360
ZINC00800360
ZINC800360

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Available files

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