Vitas-M small molecule compound
(5Z)-3-(4-fluorophenyl)-5-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]benzylidene}-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one
Catalog ID
STL176067
SMILES COc1ccc(cc1COCC(F)(F)F)/C=C/1\N=C(N(C1=O)c1ccc(cc1)F)S
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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 C20H16F4N2O3S MW 440.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16F4N2O3S/c1-28-17-7-2-12(8-13(17)10-29-11-20(22,23)24)9-16-18(27)26(19(30)25-16)15-5-3-14(21)4-6-15/h2-9H,10-11H2,1H3,(H,25,30)/b16-9-InChIKey
NHRKGHQCIOETFX-SXGWCWSVSA-NSynonyms
828281-35-2(5Z)3(4fluorophenyl)5((4methoxy3(222trifluoroethoxymethyl)phenyl)methylidene)2sulfanylideneimidazolidin4one
(5Z)3(4fluorophenyl)5(4methoxy3((222trifluoroethoxy)methyl)benzylidene)2sulfanyl35dihydro4Himidazol4one
828281352
COC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)N2)C3=CC=C(C=C3)F)COCC(F)(F)F
COc1ccc(cc1COCC(F)(F)F)C=C1N=C(N(C1=O)c1ccc(cc1)F)S
InChI=1SC20H16F4N2O3Sc128177212(813(17)10291120(2223)24)91618(27)26(19(30)2516)155314(21)4615h29H1011H21H3(H2530)b169
MFCD04130048
ZINC000002791235
ZINC2791235
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