Vitas-M small molecule compound
ethyl 4-[3-bromo-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]-6-propyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL181611
SMILES CCOC(=O)COc1c(Br)cc(cc1OC)C1NC(=S)NC(=C1C(=O)OCC)CCC
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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 C21H27BrN2O6S MW 515.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27BrN2O6S/c1-5-8-14-17(20(26)29-7-3)18(24-21(31)23-14)12-9-13(22)19(15(10-12)27-4)30-11-16(25)28-6-2/h9-10,18H,5-8,11H2,1-4H3,(H2,23,24,31)InChIKey
KFZZSNFYXGNISZ-UHFFFAOYSA-NSynonyms
709004-84-2709004842
CCCC1=C(C(NC(=S)N1)C2=CC(=C(C(=C2)Br)OCC(=O)OCC)OC)C(=O)OCC
ETHYL4(3BROMO4(2ETHOXY2OXOETHOXY)5METHOXYPHENYL)6PROPYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ethyl4(3bromo4(2ethoxy2oxoethoxy)5methoxyphenyl)6propyl2thioxo1234tetrahydropyrimidine5carboxylate
InChI=1SC21H27BrN2O6Sc1581417(20(26)2973)18(2421(31)2314)12913(22)19(15(1012)274)301116(25)2862h91018H5811H214H3(H2232431)
MFCD05994041
ZINC000001123675
ZINC000001123678
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