Vitas-M small molecule compound
ethyl [4-(5-acetyl-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-yl)-2-ethoxy-6-iodophenoxy]acetate
Catalog ID
STL181585
SMILES CCOC(=O)COc1c(I)cc(cc1OCC)C1NC(=S)NC(=C1C(=O)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 C19H23IN2O5S MW 518.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23IN2O5S/c1-5-25-14-8-12(7-13(20)18(14)27-9-15(24)26-6-2)17-16(11(4)23)10(3)21-19(28)22-17/h7-8,17H,5-6,9H2,1-4H3,(H2,21,22,28)InChIKey
UVPSSLKMLTYRBW-UHFFFAOYSA-NSynonyms
CCOC1=C(C(=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)C)I)OCC(=O)OCC
ethyl(4(5acetyl6methyl2thioxo1234tetrahydropyrimidin4yl)2ethoxy6iodophenoxy)acetate
ETHYL2(4(5ACETYL6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDIN4YL)2ETHOXY6IODOPHENOXY)ACETATE
InChI=1SC19H23IN2O5Sc152514812(713(20)18(14)27915(24)2662)1716(11(4)23)10(3)2119(28)2217h7817H569H214H3(H2212228)
MFCD05996056
ZINC000001126701
ZINC000001126703
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