Vitas-M small molecule compound
ethyl 6-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-4-[4-(methylsulfanyl)phenyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL107738
SMILES CCOC(=O)C1=C(CN2CCc3c(C2)cccc3)NC(=O)NC1c1ccc(cc1)SC
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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 C24H27N3O3S MW 437.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N3O3S/c1-3-30-23(28)21-20(15-27-13-12-16-6-4-5-7-18(16)14-27)25-24(29)26-22(21)17-8-10-19(31-2)11-9-17/h4-11,22H,3,12-15H2,1-2H3,(H2,25,26,29)InChIKey
TWBSSNUGGDGTOC-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)SC)CN3CCC4=CC=CC=C4C3
ethyl6(34dihydro1Hisoquinolin2ylmethyl)4(4methylsulfanylphenyl)2oxo34dihydro1Hpyrimidine5carboxylate
ethyl6(34dihydroisoquinolin2(1H)ylmethyl)4(4(methylsulfanyl)phenyl)2oxo1234tetrahydropyrimidine5carboxylate
InChI=1SC24H27N3O3Sc133023(28)2120(1527131216645718(16)1427)2524(29)2622(21)1781019(312)11917h41122H31215H212H3(H2252629)
MFCD20741666
ZINC000067286890
ZINC000067286896
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