Vitas-M small molecule compound

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

Catalog ID
STK040902
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CC1N(CCc2ccc(c(c2)OC)OC)C(=S)N(C1=O)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 C30H30FN3O6S MW 579.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30FN3O6S/c1-4-40-29(37)20-6-10-22(11-7-20)32-27(35)18-24-28(36)34(23-12-8-21(31)9-13-23)30(41)33(24)16-15-19-5-14-25(38-2)26(17-19)39-3/h5-14,17,24H,4,15-16,18H2,1-3H3,(H,32,35)
InChIKey
HLBCBQNUNISNER-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCC3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)F
CCOC(=O)c1ccc(cc1)NC(=O)CC1N(CCc2ccc(c(c2)OC)OC)C(=S)N(C1=O)c1ccc(cc1)F
ETHYL4(((3(2(34DIMETHOXYPHENYL)ETHYL)1(4FLUOROPHENYL)5OXO2THIOXOIMIDAZOLIDIN4YL)ACETYL)AMINO)BENZOATE
ETHYL4((2(3(2(34DIMETHOXYPHENYL)ETHYL)1(4FLUOROPHENYL)5OXO2SULFANYLIDENEIMIDAZOLIDIN4YL)ACETYL)AMINO)BENZOATE
ethyl4(2(3(34dimethoxyphenethyl)1(4fluorophenyl)5oxo2thioxoimidazolidin4yl)acetamido)benzoate
InChI=1SC30H30FN3O6Sc144029(37)2061022(11720)3227(35)182428(36)34(2312821(31)91323)30(41)33(24)16151951425(382)26(1719)393h5141724H4151618H213H3(H3235)
MFCD03285852
STK040902
ZINC000097995517
ZINC000097995518

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Available files

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