Vitas-M small molecule compound
methyl (4-{(E)-[3-(3-chloro-4-fluorophenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-ethoxy-6-iodophenoxy)acetate
Catalog ID
STK320518
SMILES CCOc1cc(/C=C\2/SC(=S)N(C2=O)c2ccc(c(c2)Cl)F)cc(c1OCC(=O)OC)I
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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 C21H16ClFINO5S2 MW 607.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClFINO5S2/c1-3-29-16-7-11(6-15(24)19(16)30-10-18(26)28-2)8-17-20(27)25(21(31)32-17)12-4-5-14(23)13(22)9-12/h4-9H,3,10H2,1-2H3/b17-8+InChIKey
IHYVVVAQTZGROS-CAOOACKPSA-NSynonyms
CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)C3=CC(=C(C=C3)F)Cl)I)OCC(=O)OC
CCOc1cc(C=C2SC(=S)N(C2=O)c2ccc(c(c2)Cl)F)cc(c1OCC(=O)OC)I
InChI=1SC21H16ClFINO5S2c132916711(615(24)19(16)301018(26)282)81720(27)25(21(31)3217)124514(23)13(22)912h49H310H212H3b178+
METHYL(4((E)(3(3CHLORO4FLUOROPHENYL)4OXO2THIOXO13THIAZOLIDIN5YLIDENE)METHYL)2ETHOXY6IODOPHENOXY)ACETATE
methyl2(4((E)(3(3chloro4fluorophenyl)4oxo2sulfanylidene13thiazolidin5ylidene)methyl)2ethoxy6iodophenoxy)acetate
MFCD03906142
ZINC000097962231
ZINC97962231
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