Vitas-M small molecule compound
1-(4-{4-[(2,4-dichlorobenzyl)oxy]-3-ethoxyphenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)ethanone
Catalog ID
STL172445
SMILES CCOc1cc(ccc1OCc1ccc(cc1Cl)Cl)C1NC(=S)NC(=C1C(=O)C)C
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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 C22H22Cl2N2O3S MW 465.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22Cl2N2O3S/c1-4-28-19-9-14(21-20(13(3)27)12(2)25-22(30)26-21)6-8-18(19)29-11-15-5-7-16(23)10-17(15)24/h5-10,21H,4,11H2,1-3H3,(H2,25,26,30)InChIKey
LBPBXLONOYVUAC-UHFFFAOYSA-NSynonyms
1(4(4((24dichlorobenzyl)oxy)3ethoxyphenyl)6methyl2thioxo1234tetrahydropyrimidin5yl)ethanone
1(4(4((24DICHLOROPHENYL)METHOXY)3ETHOXYPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDIN5YL)ETHANONE
CCOC1=C(C=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)C)OCC3=C(C=C(C=C3)Cl)Cl
InChI=1SC22H22Cl2N2O3Sc142819914(2120(13(3)27)12(2)2522(30)2621)6818(19)2911155716(23)1017(15)24h51021H411H213H3(H2252630)
MFCD02380154
ZINC000001007328
ZINC000008396580
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