Vitas-M small molecule compound
ethyl 4-oxo-2-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Catalog ID
STK382652
SMILES CCOC(=O)N1CCc2c(C1)sc1c2C(=O)NC(N1)c1ccc(o1)c1cccc(c1)C(F)(F)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 C23H20F3N3O4S MW 491.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20F3N3O4S/c1-2-32-22(31)29-9-8-14-17(11-29)34-21-18(14)20(30)27-19(28-21)16-7-6-15(33-16)12-4-3-5-13(10-12)23(24,25)26/h3-7,10,19,28H,2,8-9,11H2,1H3,(H,27,30)InChIKey
AJXLHAVBYLPJDS-UHFFFAOYSA-NSynonyms
CCOC(=O)N1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=C(O4)C5=CC(=CC=C5)C(F)(F)F
ethyl4oxo2(5(3(trifluoromethyl)phenyl)furan2yl)123568hexahydropyrido(23)thieno(24d)pyrimidine7carboxylate
ethyl4oxo2(5(3(trifluoromethyl)phenyl)furan2yl)134568hexahydropyrido(4345)thieno(23d)pyrimidine7(2H)carboxylate
InChI=1SC23H20F3N3O4Sc123222(31)29981417(1129)342118(14)20(30)2719(2821)167615(3316)1243513(1012)23(2425)26h37101928H28911H21H3(H2730)
MFCD03037650
ZINC000008874881
ZINC000008874884
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