Vitas-M small molecule compound
ethyl 1-{[3-(3,5-difluorophenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetyl}piperidine-4-carboxylate
Catalog ID
STL031687
SMILES CCOC(=O)C1CCN(CC1)C(=O)Cn1c2ccsc2c(=O)n(c1=O)c1cc(F)cc(c1)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 C22H21F2N3O5S MW 477.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21F2N3O5S/c1-2-32-21(30)13-3-6-25(7-4-13)18(28)12-26-17-5-8-33-19(17)20(29)27(22(26)31)16-10-14(23)9-15(24)11-16/h5,8-11,13H,2-4,6-7,12H2,1H3InChIKey
UVBREHVJQQSBFJ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1CCN(CC1)C(=O)CN2C3=C(C(=O)N(C2=O)C4=CC(=CC(=C4)F)F)SC=C3
ethyl1((3(35difluorophenyl)24dioxo34dihydrothieno(32d)pyrimidin1(2H)yl)acetyl)piperidine4carboxylate
ethyl1(2(3(35difluorophenyl)24dioxothieno(32d)pyrimidin1yl)acetyl)piperidine4carboxylate
InChI=1SC22H21F2N3O5Sc123221(30)133625(7413)18(28)122617583319(17)20(29)27(22(26)31)161014(23)915(24)1116h581113H246712H21H3
MFCD18191717
ZINC000067673761
ZINC67673761
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