Vitas-M small molecule compound

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

Catalog ID
STK662842
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CC1C(=O)N(C(=S)N1Cc1ccc(c(c1)OC)OC)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 C29H28FN3O6S MW 565.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28FN3O6S/c1-4-39-28(36)19-6-10-21(11-7-19)31-26(34)16-23-27(35)33(22-12-8-20(30)9-13-22)29(40)32(23)17-18-5-14-24(37-2)25(15-18)38-3/h5-15,23H,4,16-17H2,1-3H3,(H,31,34)
InChIKey
QRKDORUFXCXMJO-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)F
ETHYL4(((3(34DIMETHOXYBENZYL)1(4FLUOROPHENYL)5OXO2THIOXOIMIDAZOLIDIN4YL)ACETYL)AMINO)BENZOATE
ETHYL4((2(3((34DIMETHOXYPHENYL)METHYL)1(4FLUOROPHENYL)5OXO2SULFANYLIDENEIMIDAZOLIDIN4YL)ACETYL)AMINO)BENZOATE
ethyl4(2(3(34dimethoxybenzyl)1(4fluorophenyl)5oxo2thioxoimidazolidin4yl)acetamido)benzoate
InChI=1SC29H28FN3O6Sc143928(36)1961021(11719)3126(34)162327(35)33(2212820(30)91322)29(40)32(23)171851424(372)25(1518)383h51523H41617H213H3(H3134)
MFCD03677307
ZINC000098000206
ZINC000098000207

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Available files

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