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-3-carboxylate
Catalog ID
STL078417
SMILES CCOC(=O)C1CCCN(C1)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)13-4-3-6-25(11-13)18(28)12-26-17-5-7-33-19(17)20(29)27(22(26)31)16-9-14(23)8-15(24)10-16/h5,7-10,13H,2-4,6,11-12H2,1H3InChIKey
RNUYGKPGMCAHLR-UHFFFAOYSA-NSynonyms
CCOC(=O)C1CCCN(C1)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)piperidine3carboxylate
ethyl1(2(3(35difluorophenyl)24dioxothieno(32d)pyrimidin1yl)acetyl)piperidine3carboxylate
InChI=1SC22H21F2N3O5Sc123221(30)1343625(1113)18(28)122617573319(17)20(29)27(22(26)31)16914(23)815(24)1016h571013H2461112H21H3
MFCD18199626
ZINC000067218722
ZINC000067218725
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