Vitas-M small molecule compound
ethyl 6-(3-bromo-4-ethoxyphenyl)-4-phenyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate
Catalog ID
STK123639
SMILES CCOC(=O)C1=C(N=C(NC1c1ccc(c(c1)Br)OCC)S)c1ccccc1
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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 C21H21BrN2O3S MW 461.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN2O3S/c1-3-26-16-11-10-14(12-15(16)22)19-17(20(25)27-4-2)18(23-21(28)24-19)13-8-6-5-7-9-13/h5-12,19H,3-4H2,1-2H3,(H2,23,24,28)InChIKey
NLXGCRYLXRRJJU-UHFFFAOYSA-NSynonyms
CCOC1=C(C=C(C=C1)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)OCC)Br
ETHYL4(3BROMO4ETHOXYPHENYL)6PHENYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ETHYL6(3BROMO4ETHOXYPHENYL)4PHENYL2SULFANYL16DIHYDROPYRIMIDINE5CARBOXYLATE
InChI=1SC21H21BrN2O3Sc132616111014(1215(16)22)1917(20(25)2742)18(2321(28)2419)138657913h51219H34H212H3(H2232428)
MFCD03715834
ZINC000002818509
ZINC000002818510
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