Vitas-M small molecule compound

dimethyl 5-{[(4-tert-butylphenyl)sulfonyl]amino}benzene-1,3-dicarboxylate

Catalog ID
STK490235
SMILES COC(=O)c1cc(cc(c1)C(=O)OC)NS(=O)(=O)c1ccc(cc1)C(C)(C)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 C20H23NO6S MW 405.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO6S/c1-20(2,3)15-6-8-17(9-7-15)28(24,25)21-16-11-13(18(22)26-4)10-14(12-16)19(23)27-5/h6-12,21H,1-5H3
InChIKey
WKJLSAIMQLKFAU-UHFFFAOYSA-N
Synonyms

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC
dimethyl5(((4tertbutylphenyl)sulfonyl)amino)benzene13dicarboxylate
DIMETHYL5((4TERTBUTYLPHENYL)SULFONYLAMINO)BENZENE13DICARBOXYLATE
InChI=1SC20H23NO6Sc120(23)156817(9715)28(2425)21161113(18(22)264)1014(1216)19(23)275h61221H15H3
METHYL5(((4(TERTBUTYL)PHENYL)SULFONYL)AMINO)3(METHOXYCARBONYL)BENZOATE
MFCD02632820
ZINC000003876865
ZINC03876865
ZINC3876865

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Available files

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