Vitas-M small molecule compound
benzyl 4-(2-fluorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK812698
SMILES S=C1NC(=C(C(N1)c1ccccc1F)C(=O)OCc1ccccc1)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 C19H17FN2O2S MW 356.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17FN2O2S/c1-12-16(18(23)24-11-13-7-3-2-4-8-13)17(22-19(25)21-12)14-9-5-6-10-15(14)20/h2-10,17H,11H2,1H3,(H2,21,22,25)InChIKey
INRCXQCEHOXRII-UHFFFAOYSA-NSynonyms
BENZYL4(2FLUOROPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
benzyl4(2fluorophenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
CC1=C(C(NC(=S)N1)C2=CC=CC=C2F)C(=O)OCC3=CC=CC=C3
InChI=1SC19H17FN2O2Sc11216(18(23)2411137324813)17(2219(25)2112)149561015(14)20h21017H11H21H3(H2212225)
MFCD03132713
ZINC000001103741
ZINC000001103742
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