Vitas-M small molecule compound

dimethyl 2-[({4-[(phenylsulfanyl)methyl]phenyl}carbonyl)amino]benzene-1,4-dicarboxylate

Catalog ID
STL118712
SMILES COC(=O)c1ccc(cc1NC(=O)c1ccc(cc1)CSc1ccccc1)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 C24H21NO5S MW 435.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21NO5S/c1-29-23(27)18-12-13-20(24(28)30-2)21(14-18)25-22(26)17-10-8-16(9-11-17)15-31-19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,25,26)
InChIKey
ZRJJXMYUBGUEBE-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)CSC3=CC=CC=C3
dimethyl2(((4((phenylsulfanyl)methyl)phenyl)carbonyl)amino)benzene14dicarboxylate
DIMETHYL2((4(PHENYLSULFANYLMETHYL)BENZOYL)AMINO)BENZENE14DICARBOXYLATE
InChI=1SC24H21NO5Sc12923(27)18121320(24(28)302)21(1418)2522(26)1710816(91117)1531196435719h314H15H212H3(H2526)
MFCD04362230
ZINC000016194105
ZINC16194105

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Available files

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