Vitas-M small molecule compound

methyl {(5Z)-5-[3-ethoxy-4-(2-methylpropoxy)benzylidene]-4-oxo-3-phenyl-2-thioxoimidazolidin-1-yl}acetate

Catalog ID
STK043937
SMILES CCOc1cc(ccc1OCC(C)C)/C=C/1\N(CC(=O)OC)C(=S)N(C1=O)c1ccccc1

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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 C25H28N2O5S MW 468.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O5S/c1-5-31-22-14-18(11-12-21(22)32-16-17(2)3)13-20-24(29)27(19-9-7-6-8-10-19)25(33)26(20)15-23(28)30-4/h6-14,17H,5,15-16H2,1-4H3/b20-13-
InChIKey
FYMUZQJDXLYKQA-MOSHPQCFSA-N
Synonyms

CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)N2CC(=O)OC)C3=CC=CC=C3)OCC(C)C
CCOc1cc(ccc1OCC(C)C)C=C1N(CC(=O)OC)C(=S)N(C1=O)c1ccccc1
InChI=1SC25H28N2O5Sc1531221418(111221(22)321617(2)3)132024(29)27(1997681019)25(33)26(20)1523(28)304h61417H51516H214H3b2013
METHYL((5Z)5(3ETHOXY4(2METHYLPROPOXY)BENZYLIDENE)4OXO3PHENYL2THIOXOIMIDAZOLIDIN1YL)ACETATE
METHYL2((5Z)5((3ETHOXY4(2METHYLPROPOXY)PHENYL)METHYLIDENE)4OXO3PHENYL2SULFANYLIDENEIMIDAZOLIDIN1YL)ACETATE
MFCD04087022
STK043937
ZINC000030976706
ZINC30976706

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Available files

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