Vitas-M small molecule compound
benzyl 6-methyl-4-[4-(methylsulfanyl)phenyl]-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK811325
SMILES CSc1ccc(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 C20H20N2O2S2 MW 384.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O2S2/c1-13-17(19(23)24-12-14-6-4-3-5-7-14)18(22-20(25)21-13)15-8-10-16(26-2)11-9-15/h3-11,18H,12H2,1-2H3,(H2,21,22,25)InChIKey
ORJPJHRLMGJKJZ-UHFFFAOYSA-NSynonyms
benzyl6methyl4(4(methylsulfanyl)phenyl)2thioxo1234tetrahydropyrimidine5carboxylate
BENZYL6METHYL4(4METHYLSULFANYLPHENYL)2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)SC)C(=O)OCC3=CC=CC=C3
InChI=1SC20H20N2O2S2c11317(19(23)2412146435714)18(2220(25)2113)1581016(262)11915h31118H12H212H3(H2212225)
MFCD03517766
ZINC000004184967
ZINC000004184968
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