Vitas-M small molecule compound
methyl [(5Z)-5-{3-ethoxy-4-[(2-fluorobenzyl)oxy]benzylidene}-3-(4-ethylphenyl)-4-oxo-2-thioxoimidazolidin-1-yl]acetate
Catalog ID
STL376542
SMILES CCOc1cc(ccc1OCc1ccccc1F)/C=C/1\N(CC(=O)OC)C(=S)N(C1=O)c1ccc(cc1)CC
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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 C30H29FN2O5S MW 548.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29FN2O5S/c1-4-20-10-13-23(14-11-20)33-29(35)25(32(30(33)39)18-28(34)36-3)16-21-12-15-26(27(17-21)37-5-2)38-19-22-8-6-7-9-24(22)31/h6-17H,4-5,18-19H2,1-3H3/b25-16-InChIKey
VGCDJCILQFDLHK-XYGWBWBKSA-NSynonyms
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=CC=C4F)OCC)N(C2=S)CC(=O)OC
CCOc1cc(ccc1OCc1ccccc1F)C=C1N(CC(=O)OC)C(=S)N(C1=O)c1ccc(cc1)CC
InChI=1SC30H29FN2O5Sc1420101323(141120)3329(35)25(32(30(33)39)1828(34)363)1621121526(27(1721)3752)381922867924(22)31h617H451819H213H3b2516
methyl((5Z)5(3ethoxy4((2fluorobenzyl)oxy)benzylidene)3(4ethylphenyl)4oxo2thioxoimidazolidin1yl)acetate
METHYL2((5Z)5((3ETHOXY4((2FLUOROPHENYL)METHOXY)PHENYL)METHYLIDENE)3(4ETHYLPHENYL)4OXO2SULFANYLIDENEIMIDAZOLIDIN1YL)ACETATE
MFCD06669699
ZINC000100311673
ZINC100311673
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