Vitas-M small molecule compound
ethyl 1-{[3-(2-fluorophenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetyl}piperidine-3-carboxylate
Catalog ID
STL077191
SMILES CCOC(=O)C1CCCN(C1)C(=O)Cn1c2ccsc2c(=O)n(c1=O)c1ccccc1F
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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 C22H22FN3O5S MW 459.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22FN3O5S/c1-2-31-21(29)14-6-5-10-24(12-14)18(27)13-25-17-9-11-32-19(17)20(28)26(22(25)30)16-8-4-3-7-15(16)23/h3-4,7-9,11,14H,2,5-6,10,12-13H2,1H3InChIKey
ASSVJXVMADPVNL-UHFFFAOYSA-NSynonyms
CCOC(=O)C1CCCN(C1)C(=O)CN2C3=C(C(=O)N(C2=O)C4=CC=CC=C4F)SC=C3
ethyl1((3(2fluorophenyl)24dioxo34dihydrothieno(32d)pyrimidin1(2H)yl)acetyl)piperidine3carboxylate
ethyl1(2(3(2fluorophenyl)24dioxothieno(32d)pyrimidin1yl)acetyl)piperidine3carboxylate
InChI=1SC22H22FN3O5Sc123121(29)14651024(1214)18(27)1325179113219(17)20(28)26(22(25)30)16843715(16)23h34791114H256101213H21H3
MFCD18198418
ZINC000057490404
ZINC000057490407
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