Vitas-M small molecule compound
ethyl 4-[({1-(4-ethoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate
Catalog ID
STK684075
SMILES CCOc1ccc(cc1)N1C(=O)C(N(C1=S)CCc1sccc1C)CC(=O)Nc1ccc(cc1)C(=O)OCC
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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 C29H31N3O5S2 MW 565.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O5S2/c1-4-36-23-12-10-22(11-13-23)32-27(34)24(31(29(32)38)16-14-25-19(3)15-17-39-25)18-26(33)30-21-8-6-20(7-9-21)28(35)37-5-2/h6-13,15,17,24H,4-5,14,16,18H2,1-3H3,(H,30,33)InChIKey
CPMAQPJKSAHVJM-UHFFFAOYSA-NSynonyms
CCOC1=CC=C(C=C1)N2C(=O)C(N(C2=S)CCC3=C(C=CS3)C)CC(=O)NC4=CC=C(C=C4)C(=O)OCC
ETHYL4(((1(4ETHOXYPHENYL)3(2(3METHYLTHIOPHEN2YL)ETHYL)5OXO2THIOXOIMIDAZOLIDIN4YL)ACETYL)AMINO)BENZOATE
ETHYL4((2(1(4ETHOXYPHENYL)3(2(3METHYLTHIOPHEN2YL)ETHYL)5OXO2SULFANYLIDENEIMIDAZOLIDIN4YL)ACETYL)AMINO)BENZOATE
InChI=1SC29H31N3O5S2c143623121022(111323)3227(34)24(31(29(32)38)16142519(3)15173925)1826(33)30218620(7921)28(35)3752h613151724H45141618H213H3(H3033)
MFCD05259548
ZINC000098006351
ZINC000098006352
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