Vitas-M small molecule compound
(5Z)-5-{3-chloro-5-ethoxy-4-[(2-fluorobenzyl)oxy]benzylidene}-3-cyclohexyl-2-thioxoimidazolidin-4-one
Catalog ID
STL375206
SMILES CCOc1cc(/C=C/2\NC(=S)N(C2=O)C2CCCCC2)cc(c1OCc1ccccc1F)Cl
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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 C25H26ClFN2O3S MW 489.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26ClFN2O3S/c1-2-31-22-14-16(12-19(26)23(22)32-15-17-8-6-7-11-20(17)27)13-21-24(30)29(25(33)28-21)18-9-4-3-5-10-18/h6-8,11-14,18H,2-5,9-10,15H2,1H3,(H,28,33)/b21-13-InChIKey
JEWZCHHIOUHKTC-BKUYFWCQSA-NSynonyms
(5Z)5((3CHLORO5ETHOXY4((2FLUOROPHENYL)METHOXY)PHENYL)METHYLIDENE)3CYCLOHEXYL2SULFANYLIDENEIMIDAZOLIDIN4ONE
(5Z)5(3chloro5ethoxy4((2fluorobenzyl)oxy)benzylidene)3cyclohexyl2thioxoimidazolidin4one
CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)N2)C3CCCCC3)Cl)OCC4=CC=CC=C4F
CCOc1cc(C=C2NC(=S)N(C2=O)C2CCCCC2)cc(c1OCc1ccccc1F)Cl
InChI=1SC25H26ClFN2O3Sc1231221416(1219(26)23(22)3215178671120(17)27)132124(30)29(25(33)2821)1894351018h68111418H2591015H21H3(H2833)b2113
MFCD04086829
ZINC000003662887
ZINC03662887
ZINC3662887
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