Vitas-M small molecule compound
(5E)-5-{3-bromo-4-[(2-fluorobenzyl)oxy]-5-methoxybenzylidene}-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK096067
SMILES C=CCN1C(=S)S/C(=C/c2cc(Br)c(c(c2)OC)OCc2ccccc2F)/C1=O
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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 C21H17BrFNO3S2 MW 494.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrFNO3S2/c1-3-8-24-20(25)18(29-21(24)28)11-13-9-15(22)19(17(10-13)26-2)27-12-14-6-4-5-7-16(14)23/h3-7,9-11H,1,8,12H2,2H3/b18-11+InChIKey
BPGPNOCPRQDTAN-WOJGMQOQSA-NSynonyms
(5E)5((3bromo4((2fluorophenyl)methoxy)5methoxyphenyl)methylidene)3prop2enyl2sulfanylidene13thiazolidin4one
(5E)5(3BROMO4((2FLUOROBENZYL)OXY)5METHOXYBENZYLIDENE)3(PROP2EN1YL)2THIOXO13THIAZOLIDIN4ONE
C=CCN1C(=S)SC(=Cc2cc(Br)c(c(c2)OC)OCc2ccccc2F)C1=O
COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)CC=C)Br)OCC3=CC=CC=C3F
InChI=1SC21H17BrFNO3S2c1382420(25)18(2921(24)28)1113915(22)19(17(1013)262)271214645716(14)23h37911H1812H22H3b1811+
MFCD02121705
STK096067
ZINC000013895526
ZINC13895526
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