Vitas-M small molecule compound

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

Catalog ID
STK662747
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CC1N(CCc2ccc(c(c2)OC)OC)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 C32H35N3O6S MW 589.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H35N3O6S/c1-4-41-31(38)24-11-13-25(14-12-24)33-29(36)21-26-30(37)35(19-16-22-8-6-5-7-9-22)32(42)34(26)18-17-23-10-15-27(39-2)28(20-23)40-3/h5-15,20,26H,4,16-19,21H2,1-3H3,(H,33,36)
InChIKey
MPTWOFWLEXUXDF-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCC3=CC(=C(C=C3)OC)OC)CCC4=CC=CC=C4
ethyl4(((3(2(34dimethoxyphenyl)ethyl)5oxo1(2phenylethyl)2thioxoimidazolidin4yl)acetyl)amino)benzoate
ethyl4((2(3(2(34dimethoxyphenyl)ethyl)5oxo1(2phenylethyl)2sulfanylideneimidazolidin4yl)acetyl)amino)benzoate
ETHYL4((2(3(2(34DIMETHOXYPHENYL)ETHYL)5OXO1PHENETHYL2SULFANYLIDENEIMIDAZOLIDIN4YL)ACETYL)AMINO)BENZOATE
ethyl4(2(3(34dimethoxyphenethyl)5oxo1phenethyl2thioxoimidazolidin4yl)acetamido)benzoate
InChI=1SC32H35N3O6Sc144131(38)24111325(141224)3329(36)212630(37)35(1916228657922)32(42)34(26)181723101527(392)28(2023)403h5152026H4161921H213H3(H3336)
MFCD02142701
ZINC000098000150
ZINC000098000151

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Available files

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