Vitas-M small molecule compound

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

Catalog ID
STK043286
SMILES COC(=O)c1ccc(cc1)NC(=O)CC1N(CCc2ccc(cc2)Cl)C(=S)N(C1=O)CCc1ccccc1

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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 C29H28ClN3O4S MW 550.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28ClN3O4S/c1-37-28(36)22-9-13-24(14-10-22)31-26(34)19-25-27(35)33(18-16-20-5-3-2-4-6-20)29(38)32(25)17-15-21-7-11-23(30)12-8-21/h2-14,25H,15-19H2,1H3,(H,31,34)
InChIKey
OPMPRVXDPUKFFB-UHFFFAOYSA-N
Synonyms
1031388-67-6
1031388676
COC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCC3=CC=C(C=C3)Cl)CCC4=CC=CC=C4
COC(=O)c1ccc(cc1)NC(=O)CC1N(CCc2ccc(cc2)Cl)C(=S)N(C1=O)CCc1ccccc1
InChI=1SC29H28ClN3O4Sc13728(36)2291324(141022)3126(34)192527(35)33(1816205324620)29(38)32(25)17152171123(30)12821h21425H1519H21H3(H3134)
METHYL4(((3(2(4CHLOROPHENYL)ETHYL)5OXO1(2PHENYLETHYL)2THIOXOIMIDAZOLIDIN4YL)ACETYL)AMINO)BENZOATE
methyl4((2(3(2(4chlorophenyl)ethyl)5oxo1(2phenylethyl)2sulfanylideneimidazolidin4yl)acetyl)amino)benzoate
METHYL4((2(3(2(4CHLOROPHENYL)ETHYL)5OXO1PHENETHYL2SULFANYLIDENEIMIDAZOLIDIN4YL)ACETYL)AMINO)BENZOATE
methyl4(2(3(4chlorophenethyl)5oxo1phenethyl2thioxoimidazolidin4yl)acetamido)benzoate
MFCD02143000
STK043286
ZINC000097951987
ZINC000097951988

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Available files

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