Vitas-M small molecule compound
methyl 4-({[1-(4-methoxyphenyl)-5-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate
Catalog ID
STK096449
SMILES COc1ccc(cc1)N1C(=S)N(C(C1=O)CC(=O)Nc1ccc(cc1)C(=O)OC)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 C28H27N3O5S MW 517.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O5S/c1-35-23-14-12-22(13-15-23)31-26(33)24(30(28(31)37)17-16-19-6-4-3-5-7-19)18-25(32)29-21-10-8-20(9-11-21)27(34)36-2/h3-15,24H,16-18H2,1-2H3,(H,29,32)InChIKey
XLHCMRPRTSCVHR-UHFFFAOYSA-NSynonyms
1024019-59-71024019597
COC1=CC=C(C=C1)N2C(=O)C(N(C2=S)CCC3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)C(=O)OC
COc1ccc(cc1)N1C(=S)N(C(C1=O)CC(=O)Nc1ccc(cc1)C(=O)OC)CCc1ccccc1
InChI=1SC28H27N3O5Sc13523141222(131523)3126(33)24(30(28(31)37)1716196435719)1825(32)292110820(91121)27(34)362h31524H1618H212H3(H2932)
METHYL4(((1(4METHOXYPHENYL)5OXO3(2PHENYLETHYL)2THIOXOIMIDAZOLIDIN4YL)ACETYL)AMINO)BENZOATE
methyl4((2(1(4methoxyphenyl)5oxo3(2phenylethyl)2sulfanylideneimidazolidin4yl)acetyl)amino)benzoate
METHYL4((2(1(4METHOXYPHENYL)5OXO3PHENETHYL2SULFANYLIDENEIMIDAZOLIDIN4YL)ACETYL)AMINO)BENZOATE
methyl4(2(1(4methoxyphenyl)5oxo3phenethyl2thioxoimidazolidin4yl)acetamido)benzoate
MFCD02142000
STK096449
ZINC000009730674
ZINC000009730675
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.