Vitas-M small molecule compound
ethyl 1-({[3-(3,5-difluorophenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetyl)piperidine-4-carboxylate
Catalog ID
STL076782
SMILES CCOC(=O)C1CCN(CC1)C(=O)CSc1nc2ccsc2c(=O)n1c1cc(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 C22H21F2N3O4S2 MW 493.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21F2N3O4S2/c1-2-31-21(30)13-3-6-26(7-4-13)18(28)12-33-22-25-17-5-8-32-19(17)20(29)27(22)16-10-14(23)9-15(24)11-16/h5,8-11,13H,2-4,6-7,12H2,1H3InChIKey
IQOQLJLMWGIDPJ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2C4=CC(=CC(=C4)F)F)SC=C3
ethyl1(((3(35difluorophenyl)4oxo34dihydrothieno(32d)pyrimidin2yl)sulfanyl)acetyl)piperidine4carboxylate
ethyl1(2(3(35difluorophenyl)4oxothieno(32d)pyrimidin2yl)sulfanylacetyl)piperidine4carboxylate
InChI=1SC22H21F2N3O4S2c123121(30)133626(7413)18(28)1233222517583219(17)20(29)27(22)161014(23)915(24)1116h581113H246712H21H3
MFCD18198014
ZINC000067217697
ZINC67217697
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