Vitas-M small molecule compound
2-{[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino}-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one
Catalog ID
STL346681
SMILES COc1cc2CCn3c(c2cc1OC)cc(nc3=O)NCCC(c1ccco1)c1ccc(cc1)F
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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 C27H26FN3O4 MW 475.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26FN3O4/c1-33-24-14-18-10-12-31-22(21(18)15-25(24)34-2)16-26(30-27(31)32)29-11-9-20(23-4-3-13-35-23)17-5-7-19(28)8-6-17/h3-8,13-16,20H,9-12H2,1-2H3,(H,29,30,32)InChIKey
PZQWHFSMGOCAFA-UHFFFAOYSA-NSynonyms
848988-55-62(((3S)3(4FLUOROPHENYL)3(FURAN2YL)PROPYL)AMINO)910DIMETHOXY67DIHYDRO4HPYRIMIDO(61A)ISOQUINOLIN4ONE
2((3(4fluorophenyl)3(furan2yl)propyl)amino)910dimethoxy67dihydro4Hpyrimido(61a)isoquinolin4one
2((3(4FLUOROPHENYL)3(FURAN2YL)PROPYL)AMINO)910DIMETHOXY67DIHYDROPYRIMIDO(61A)ISOQUINOLIN4ONE
848988556
COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)NCCC(C4=CC=C(C=C4)F)C5=CC=CO5)OC
InChI=1SC27H26FN3O4c13324141810123122(21(18)1525(24)342)1626(3027(31)32)2911920(2343133523)175719(28)8617h38131620H912H212H3(H293032)
MFCD05678730
ZINC000002446381
ZINC000002446382
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