Vitas-M small molecule compound
ethyl 2-{4-[5-(benzylcarbamoyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-4-yl]-5-chloro-2-methoxyphenoxy}propanoate
Catalog ID
STL181564
SMILES CCOC(=O)C(Oc1cc(Cl)c(cc1OC)C1NC(=S)NC(=C1C(=O)NCc1ccccc1)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 C25H28ClN3O5S MW 518.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28ClN3O5S/c1-5-33-24(31)15(3)34-20-12-18(26)17(11-19(20)32-4)22-21(14(2)28-25(35)29-22)23(30)27-13-16-9-7-6-8-10-16/h6-12,15,22H,5,13H2,1-4H3,(H,27,30)(H2,28,29,35)InChIKey
OIKXLYHYPUHWIQ-UHFFFAOYSA-NSynonyms
CCOC(=O)C(C)OC1=C(C=C(C(=C1)Cl)C2C(=C(NC(=S)N2)C)C(=O)NCC3=CC=CC=C3)OC
ETHYL2(4(5(BENZYLCARBAMOYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDIN4YL)5CHLORO2METHOXYPHENOXY)PROPANOATE
ethyl2(4(5(benzylcarbamoyl)6methyl2thioxo1234tetrahydropyrimidin4yl)5chloro2methoxyphenoxy)propanoate
InChI=1SC25H28ClN3O5Sc153324(31)15(3)34201218(26)17(1119(20)324)2221(14(2)2825(35)2922)23(30)27131697681016h6121522H513H214H3(H2730)(H2282935)
MFCD05996070
ZINC000001126742
ZINC000001126750
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