Vitas-M small molecule compound
ethyl 4-(5-bromo-2,4-dimethoxyphenyl)-6-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL376920
SMILES CCOC(=O)C1=C(NC(=S)NC1c1cc(Br)c(cc1OC)OC)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 C21H21BrN2O4S MW 477.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN2O4S/c1-4-28-20(25)17-18(12-8-6-5-7-9-12)23-21(29)24-19(17)13-10-14(22)16(27-3)11-15(13)26-2/h5-11,19H,4H2,1-3H3,(H2,23,24,29)InChIKey
JDGIUYLXLGCNNV-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2OC)OC)Br)C3=CC=CC=C3
ETHYL4(5BROMO24DIMETHOXYPHENYL)6PHENYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ethyl4(5bromo24dimethoxyphenyl)6phenyl2thioxo1234tetrahydropyrimidine5carboxylate
InChI=1SC21H21BrN2O4Sc142820(25)1718(128657912)2321(29)2419(17)131014(22)16(273)1115(13)262h51119H4H213H3(H2232429)
MFCD02642049
ZINC000001164800
ZINC000001164801
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