Vitas-M small molecule compound

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

Catalog ID
STK056020
SMILES COC(=O)c1ccc(cc1)NC(=O)CC1C(=O)N(C(=S)N1Cc1ccc(cc1)Cl)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 C26H21ClFN3O4S MW 525.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClFN3O4S/c1-35-25(34)17-4-10-20(11-5-17)29-23(32)14-22-24(33)31(21-12-8-19(28)9-13-21)26(36)30(22)15-16-2-6-18(27)7-3-16/h2-13,22H,14-15H2,1H3,(H,29,32)
InChIKey
BFLPGVCLNQTRIH-UHFFFAOYSA-N
Synonyms
585517-91-5
585517915
COC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)F
COC(=O)c1ccc(cc1)NC(=O)CC1C(=O)N(C(=S)N1Cc1ccc(cc1)Cl)c1ccc(cc1)F
InChI=1SC26H21ClFN3O4Sc13525(34)1741020(11517)2923(32)142224(33)31(2112819(28)91321)26(36)30(22)15162618(27)7316h21322H1415H21H3(H2932)
METHYL4(((3(4CHLOROBENZYL)1(4FLUOROPHENYL)5OXO2THIOXOIMIDAZOLIDIN4YL)ACETYL)AMINO)BENZOATE
METHYL4((2(3((4CHLOROPHENYL)METHYL)1(4FLUOROPHENYL)5OXO2SULFANYLIDENEIMIDAZOLIDIN4YL)ACETYL)AMINO)BENZOATE
methyl4(2(3(4chlorobenzyl)1(4fluorophenyl)5oxo2thioxoimidazolidin4yl)acetamido)benzoate
MFCD03057478
STK056020
ZINC000097952041
ZINC000097952042

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Available files

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