Vitas-M small molecule compound
(5Z)-5-[3-chloro-5-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-3-cyclohexyl-2-thioxoimidazolidin-4-one
Catalog ID
STL375119
SMILES C#CCOc1c(Cl)cc(cc1OC)/C=C/1\NC(=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 C20H21ClN2O3S MW 404.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN2O3S/c1-3-9-26-18-15(21)10-13(12-17(18)25-2)11-16-19(24)23(20(27)22-16)14-7-5-4-6-8-14/h1,10-12,14H,4-9H2,2H3,(H,22,27)/b16-11-InChIKey
KDOXPHCGOFKIQW-WJDWOHSUSA-NSynonyms
(5Z)5((3CHLORO5METHOXY4PROP2YNOXYPHENYL)METHYLIDENE)3CYCLOHEXYL2SULFANYLIDENEIMIDAZOLIDIN4ONE
(5Z)5(3chloro5methoxy4(prop2yn1yloxy)benzylidene)3cyclohexyl2thioxoimidazolidin4one
C#CCOc1c(Cl)cc(cc1OC)C=C1NC(=S)N(C1=O)C1CCCCC1
COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)N2)C3CCCCC3)Cl)OCC#C
InChI=1SC20H21ClN2O3Sc139261815(21)1013(1217(18)252)111619(24)23(20(27)2216)147546814h1101214H49H22H3(H2227)b1611
MFCD04086978
ZINC000003662699
ZINC03662699
ZINC3662699
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