Vitas-M small molecule compound

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

Catalog ID
STK085046
SMILES COC(=O)c1ccc(cc1NC(=O)C(c1ccccc1)Sc1ccccc1)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)17-13-14-19(24(28)30-2)20(15-17)25-22(26)21(16-9-5-3-6-10-16)31-18-11-7-4-8-12-18/h3-15,21H,1-2H3,(H,25,26)
InChIKey
BJCSQLGXBMSTPE-UHFFFAOYSA-N
Synonyms
313385-67-0
313385670
COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3
COC(=O)c1ccc(cc1NC(=O)C(c1ccccc1)Sc1ccccc1)C(=O)OC
DIMETHYL2((2PHENYL2PHENYLSULFANYLACETYL)AMINO)BENZENE14DICARBOXYLATE
DIMETHYL2((PHENYL(PHENYLSULFANYL)ACETYL)AMINO)BENZENE14DICARBOXYLATE
dimethyl2(2phenyl2(phenylthio)acetamido)terephthalate
InChI=1SC24H21NO5Sc12923(27)17131419(24(28)302)20(1517)2522(26)21(1695361016)3118117481218h31521H12H3(H2526)
METHYL4(METHOXYCARBONYL)3(2PHENYL2PHENYLTHIOACETYLAMINO)BENZOATE
MFCD01345538
STK085046
ZINC000001200099
ZINC000001200100

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Available files

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