Vitas-M small molecule compound

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

Catalog ID
STK226269
SMILES COC(=O)c1cc(NC(=O)CS(=O)(=O)c2ccc(cc2)C)cc(c1)C(=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 C19H19NO7S MW 405.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19NO7S/c1-12-4-6-16(7-5-12)28(24,25)11-17(21)20-15-9-13(18(22)26-2)8-14(10-15)19(23)27-3/h4-10H,11H2,1-3H3,(H,20,21)
InChIKey
ROFWSWJSAOSJQZ-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC
dimethyl5((((4methylphenyl)sulfonyl)acetyl)amino)benzene13dicarboxylate
DIMETHYL5((2(4METHYLPHENYL)SULFONYLACETYL)AMINO)BENZENE13DICARBOXYLATE
InChI=1SC19H19NO7Sc1124616(7512)28(2425)1117(21)2015913(18(22)262)814(1015)19(23)273h410H11H213H3(H2021)
MFCD06094262
ZINC000002871776
ZINC02871776
ZINC2871776

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Available files

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