Vitas-M small molecule compound

ethyl 4-[({1-(4-methylphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate

Catalog ID
STK684410
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CC1N(CCc2sccc2C)C(=S)N(C1=O)c1ccc(cc1)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 C28H29N3O4S2 MW 535.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O4S2/c1-4-35-27(34)20-7-9-21(10-8-20)29-25(32)17-23-26(33)31(22-11-5-18(2)6-12-22)28(36)30(23)15-13-24-19(3)14-16-37-24/h5-12,14,16,23H,4,13,15,17H2,1-3H3,(H,29,32)
InChIKey
ZLHANTPRCFMAEC-UHFFFAOYSA-N
Synonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCC3=C(C=CS3)C)C4=CC=C(C=C4)C
ETHYL4(((1(4METHYLPHENYL)3(2(3METHYLTHIOPHEN2YL)ETHYL)5OXO2THIOXOIMIDAZOLIDIN4YL)ACETYL)AMINO)BENZOATE
ETHYL4((2(1(4METHYLPHENYL)3(2(3METHYLTHIOPHEN2YL)ETHYL)5OXO2SULFANYLIDENEIMIDAZOLIDIN4YL)ACETYL)AMINO)BENZOATE
Registry IDs
MFCD05854402
ZINC000098007038
ZINC000098007039

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Available files

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