Vitas-M small molecule compound
4-[3,5-dichloro-4-(propan-2-yloxy)phenyl]-N-(4-fluorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
Catalog ID
STL181572
SMILES CC(Oc1c(Cl)cc(cc1Cl)C1NC(=S)NC(=C1C(=O)Nc1ccc(cc1)F)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 C21H20Cl2FN3O2S MW 468.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20Cl2FN3O2S/c1-10(2)29-19-15(22)8-12(9-16(19)23)18-17(11(3)25-21(30)27-18)20(28)26-14-6-4-13(24)5-7-14/h4-10,18H,1-3H3,(H,26,28)(H2,25,27,30)InChIKey
CJCKXIWTSYGULO-UHFFFAOYSA-NSynonyms
4(35dichloro4(propan2yloxy)phenyl)N(4fluorophenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxamide
4(35DICHLORO4PROPAN2YLOXYPHENYL)N(4FLUOROPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXAMIDE
CC1=C(C(NC(=S)N1)C2=CC(=C(C(=C2)Cl)OC(C)C)Cl)C(=O)NC3=CC=C(C=C3)F
InChI=1SC21H20Cl2FN3O2Sc110(2)291915(22)812(916(19)23)1817(11(3)2521(30)2718)20(28)26146413(24)5714h41018H13H3(H2628)(H2252730)
MFCD05996042
ZINC000001126654
ZINC000001126657
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