Vitas-M small molecule compound

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

Catalog ID
STK061997
SMILES COC(=O)CN1/C(=C\c2ccc(cc2)OCc2ccc(cc2)F)/C(=O)N(C1=S)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 C26H21FN2O4S MW 476.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21FN2O4S/c1-32-24(30)16-28-23(25(31)29(26(28)34)21-5-3-2-4-6-21)15-18-9-13-22(14-10-18)33-17-19-7-11-20(27)12-8-19/h2-15H,16-17H2,1H3/b23-15-
InChIKey
YYTAWDGHGJUPOR-HAHDFKILSA-N
Synonyms

COC(=O)CN1C(=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)F)C(=O)N(C1=S)C4=CC=CC=C4
COC(=O)CN1C(=Cc2ccc(cc2)OCc2ccc(cc2)F)C(=O)N(C1=S)c1ccccc1
InChI=1SC26H21FN2O4Sc13224(30)162823(25(31)29(26(28)34)215324621)151891322(141018)33171971120(27)12819h215H1617H21H3b2315
METHYL((5Z)5(4((4FLUOROBENZYL)OXY)BENZYLIDENE)4OXO3PHENYL2THIOXOIMIDAZOLIDIN1YL)ACETATE
METHYL2((5Z)5((4((4FLUOROPHENYL)METHOXY)PHENYL)METHYLIDENE)4OXO3PHENYL2SULFANYLIDENEIMIDAZOLIDIN1YL)ACETATE
MFCD04086797
STK061997
ZINC000030707996
ZINC30707996

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Available files

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