Vitas-M small molecule compound
ethyl 4-[3-bromo-4-(cyanomethoxy)-5-methoxyphenyl]-2-oxo-6-propyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL181633
SMILES N#CCOc1c(Br)cc(cc1OC)C1NC(=O)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 C19H22BrN3O5 MW 452.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22BrN3O5/c1-4-6-13-15(18(24)27-5-2)16(23-19(25)22-13)11-9-12(20)17(28-8-7-21)14(10-11)26-3/h9-10,16H,4-6,8H2,1-3H3,(H2,22,23,25)InChIKey
VPEDMEZQIRVTEF-UHFFFAOYSA-NSynonyms
CCCC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)Br)OCC#N)OC)C(=O)OCC
ethyl4(3bromo4(cyanomethoxy)5methoxyphenyl)2oxo6propyl1234tetrahydropyrimidine5carboxylate
ETHYL4(3BROMO4(CYANOMETHOXY)5METHOXYPHENYL)2OXO6PROPYL34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
InChI=1SC19H22BrN3O5c1461315(18(24)2752)16(2319(25)2213)11912(20)17(288721)14(1011)263h91016H468H213H3(H2222325)
MFCD05996131
ZINC000016382682
ZINC000016382686
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