Vitas-M small molecule compound
methyl (4-{(E)-[3-(3,4-dimethylphenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-iodo-6-methoxyphenoxy)acetate
Catalog ID
STL419104
SMILES COC(=O)COc1c(I)cc(cc1OC)/C=C\1/SC(=S)N(C1=O)c1ccc(c(c1)C)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 C22H20INO5S2 MW 569.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20INO5S2/c1-12-5-6-15(7-13(12)2)24-21(26)18(31-22(24)30)10-14-8-16(23)20(17(9-14)27-3)29-11-19(25)28-4/h5-10H,11H2,1-4H3/b18-10+InChIKey
QNSRPBZJKWKZLC-VCHYOVAHSA-NSynonyms
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)I)OCC(=O)OC)OC)SC2=S)C
COC(=O)COc1c(I)cc(cc1OC)C=C1SC(=S)N(C1=O)c1ccc(c(c1)C)C
InChI=1SC22H20INO5S2c1125615(713(12)2)2421(26)18(3122(24)30)1014816(23)20(17(914)273)291119(25)284h510H11H214H3b1810+
methyl(4((E)(3(34dimethylphenyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2iodo6methoxyphenoxy)acetate
METHYL2(4((E)(3(34DIMETHYLPHENYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)2IODO6METHOXYPHENOXY)ACETATE
MFCD03614115
ZINC000100316912
ZINC100316912
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