Vitas-M small molecule compound

methyl 4-[({1-(4-fluorophenyl)-5-oxo-3-[2-(pyridin-2-yl)ethyl]-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate

Catalog ID
STK119428
SMILES COC(=O)c1ccc(cc1)NC(=O)CC1N(CCc2ccccn2)C(=S)N(C1=O)c1ccc(cc1)F

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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 C26H23FN4O4S MW 506.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23FN4O4S/c1-35-25(34)17-5-9-20(10-6-17)29-23(32)16-22-24(33)31(21-11-7-18(27)8-12-21)26(36)30(22)15-13-19-4-2-3-14-28-19/h2-12,14,22H,13,15-16H2,1H3,(H,29,32)
InChIKey
KRPIZGGKKHUEMG-UHFFFAOYSA-N
Synonyms
1024731-68-7
1024731687
COC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCC3=CC=CC=N3)C4=CC=C(C=C4)F
InChI=1SC26H23FN4O4Sc13525(34)175920(10617)2923(32)162224(33)31(2111718(27)81221)26(36)30(22)151319423142819h2121422H131516H21H3(H2932)
METHYL4(((1(4FLUOROPHENYL)5OXO3(2(PYRIDIN2YL)ETHYL)2THIOXOIMIDAZOLIDIN4YL)ACETYL)AMINO)BENZOATE
METHYL4((2(1(4FLUOROPHENYL)5OXO3(2PYRIDIN2YLETHYL)2SULFANYLIDENEIMIDAZOLIDIN4YL)ACETYL)AMINO)BENZOATE
methyl4(2(1(4fluorophenyl)5oxo3(2(pyridin2yl)ethyl)2thioxoimidazolidin4yl)acetamido)benzoate
MFCD03680724
ZINC000009109517
ZINC000009111092

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Available files

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