Vitas-M small molecule compound
ethyl [2-(5-acetyl-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-yl)-4-chloro-6-methoxyphenoxy]acetate
Catalog ID
STL181557
SMILES CCOC(=O)COc1c(OC)cc(cc1C1NC(=S)NC(=C1C(=O)C)C)Cl
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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 C18H21ClN2O5S MW 412.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21ClN2O5S/c1-5-25-14(23)8-26-17-12(6-11(19)7-13(17)24-4)16-15(10(3)22)9(2)20-18(27)21-16/h6-7,16H,5,8H2,1-4H3,(H2,20,21,27)InChIKey
OINZFNUBHNZIRC-UHFFFAOYSA-NSynonyms
CCOC(=O)COC1=C(C=C(C=C1C2C(=C(NC(=S)N2)C)C(=O)C)Cl)OC
ethyl(2(5acetyl6methyl2thioxo1234tetrahydropyrimidin4yl)4chloro6methoxyphenoxy)acetate
ETHYL2(2(5ACETYL6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDIN4YL)4CHLORO6METHOXYPHENOXY)ACETATE
InChI=1SC18H21ClN2O5Sc152514(23)8261712(611(19)713(17)244)1615(10(3)22)9(2)2018(27)2116h6716H58H214H3(H2202127)
MFCD05993895
ZINC000001123326
ZINC000001123328
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