Vitas-M small molecule compound
(5E)-5-[4-(benzyloxy)-3-ethoxy-5-(prop-2-en-1-yl)benzylidene]-3-(3-chloro-4-fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK320491
SMILES CCOc1cc(/C=C\2/SC(=S)N(C2=O)c2ccc(c(c2)Cl)F)cc(c1OCc1ccccc1)CC=C
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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 C28H23ClFNO3S2 MW 540.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23ClFNO3S2/c1-3-8-20-13-19(14-24(33-4-2)26(20)34-17-18-9-6-5-7-10-18)15-25-27(32)31(28(35)36-25)21-11-12-23(30)22(29)16-21/h3,5-7,9-16H,1,4,8,17H2,2H3/b25-15+InChIKey
XKPPNRZWQDUTDE-MFKUBSTISA-NSynonyms
(5E)3(3chloro4fluorophenyl)5((3ethoxy4phenylmethoxy5prop2enylphenyl)methylidene)2sulfanylidene13thiazolidin4one
(5E)5(4(BENZYLOXY)3ETHOXY5(PROP2EN1YL)BENZYLIDENE)3(3CHLORO4FLUOROPHENYL)2THIOXO13THIAZOLIDIN4ONE
CCOC1=CC(=CC(=C1OCC2=CC=CC=C2)CC=C)C=C3C(=O)N(C(=S)S3)C4=CC(=C(C=C4)F)Cl
CCOc1cc(C=C2SC(=S)N(C2=O)c2ccc(c(c2)Cl)F)cc(c1OCc1ccccc1)CC=C
InChI=1SC28H23ClFNO3S2c138201319(1424(3342)26(20)34171896571018)152527(32)31(28(35)3625)21111223(30)22(29)1621h357916H14817H22H3b2515+
MFCD04085571
ZINC000097962228
ZINC97962228
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