Vitas-M small molecule compound
methyl (4-{(E)-[3-(3-chloro-4-fluorophenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-ethoxyphenoxy)acetate
Catalog ID
STK320419
SMILES CCOc1cc(ccc1OCC(=O)OC)/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 C21H17ClFNO5S2 MW 481.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClFNO5S2/c1-3-28-17-8-12(4-7-16(17)29-11-19(25)27-2)9-18-20(26)24(21(30)31-18)13-5-6-15(23)14(22)10-13/h4-10H,3,11H2,1-2H3/b18-9+InChIKey
LYCYJYJJWOCAST-GIJQJNRQSA-NSynonyms
CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)C3=CC(=C(C=C3)F)Cl)OCC(=O)OC
CCOc1cc(ccc1OCC(=O)OC)C=C1SC(=S)N(C1=O)c1ccc(c(c1)Cl)F
InChI=1SC21H17ClFNO5S2c132817812(4716(17)291119(25)272)91820(26)24(21(30)3118)135615(23)14(22)1013h410H311H212H3b189+
METHYL(4((E)(3(3CHLORO4FLUOROPHENYL)4OXO2THIOXO13THIAZOLIDIN5YLIDENE)METHYL)2ETHOXYPHENOXY)ACETATE
METHYL2(4((E)(3(3CHLORO4FLUOROPHENYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)2ETHOXYPHENOXY)ACETATE
MFCD03614286
ZINC000003768896
ZINC03768896
ZINC3768896
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