Vitas-M small molecule compound
(5E)-5-[3-chloro-5-ethoxy-4-(prop-2-en-1-yloxy)benzylidene]-3-(3-chloro-4-fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK320483
SMILES C=CCOc1c(Cl)cc(cc1OCC)/C=C\1/SC(=S)N(C1=O)c1ccc(c(c1)Cl)F
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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 C21H16Cl2FNO3S2 MW 484.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16Cl2FNO3S2/c1-3-7-28-19-15(23)8-12(9-17(19)27-4-2)10-18-20(26)25(21(29)30-18)13-5-6-16(24)14(22)11-13/h3,5-6,8-11H,1,4,7H2,2H3/b18-10+InChIKey
XIRXOAQMXSVRNQ-VCHYOVAHSA-NSynonyms
(5E)5((3chloro5ethoxy4prop2enoxyphenyl)methylidene)3(3chloro4fluorophenyl)2sulfanylidene13thiazolidin4one
(5E)5(3CHLORO5ETHOXY4(PROP2EN1YLOXY)BENZYLIDENE)3(3CHLORO4FLUOROPHENYL)2THIOXO13THIAZOLIDIN4ONE
C=CCOc1c(Cl)cc(cc1OCC)C=C1SC(=S)N(C1=O)c1ccc(c(c1)Cl)F
CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)C3=CC(=C(C=C3)F)Cl)Cl)OCC=C
InChI=1SC21H16Cl2FNO3S2c137281915(23)812(917(19)2742)101820(26)25(21(29)3018)135616(24)14(22)1113h356811H147H22H3b1810+
MFCD04085563
ZINC000009232827
ZINC09232827
ZINC9232827
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