Vitas-M small molecule compound
ethyl 4-(2,3-dibromo-4-ethoxy-5-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK960460
SMILES CCOC(=O)C1=C(C)NC(=S)NC1c1cc(OC)c(c(c1Br)Br)OCC
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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 C17H20Br2N2O4S MW 508.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20Br2N2O4S/c1-5-24-15-10(23-4)7-9(12(18)13(15)19)14-11(16(22)25-6-2)8(3)20-17(26)21-14/h7,14H,5-6H2,1-4H3,(H2,20,21,26)InChIKey
LQCQNICMRDYGMY-UHFFFAOYSA-NSynonyms
445015-82-7445015827
CCOC1=C(C=C(C(=C1Br)Br)C2C(=C(NC(=S)N2)C)C(=O)OCC)OC
ETHYL4(23DIBROMO4ETHOXY5METHOXYPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ethyl4(23dibromo4ethoxy5methoxyphenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
InChI=1SC17H20Br2N2O4Sc15241510(234)79(12(18)13(15)19)1411(16(22)2562)8(3)2017(26)2114h714H56H214H3(H2202126)
MFCD02608064
ZINC000000689012
ZINC000000689013
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