Vitas-M small molecule compound
benzyl 4-[4-(methoxycarbonyl)phenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK811615
SMILES COC(=O)c1ccc(cc1)C1NC(=S)NC(=C1C(=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 C21H20N2O4S MW 396.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O4S/c1-13-17(20(25)27-12-14-6-4-3-5-7-14)18(23-21(28)22-13)15-8-10-16(11-9-15)19(24)26-2/h3-11,18H,12H2,1-2H3,(H2,22,23,28)InChIKey
MICAGWVHMUATAB-UHFFFAOYSA-NSynonyms
benzyl4(4(methoxycarbonyl)phenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
BENZYL4(4METHOXYCARBONYLPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)C(=O)OC)C(=O)OCC3=CC=CC=C3
InChI=1SC21H20N2O4Sc11317(20(25)2712146435714)18(2321(28)2213)1581016(11915)19(24)262h31118H12H212H3(H2222328)
MFCD03132743
ZINC000004184970
ZINC000004184971
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Check stock on Vitas-MAvailable files
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