Vitas-M small molecule compound
ethyl 1-{[3-(3-chlorophenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetyl}piperidine-4-carboxylate
Catalog ID
STL077633
SMILES CCOC(=O)C1CCN(CC1)C(=O)Cn1c2ccsc2c(=O)n(c1=O)c1cccc(c1)Cl
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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 C22H22ClN3O5S MW 475.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN3O5S/c1-2-31-21(29)14-6-9-24(10-7-14)18(27)13-25-17-8-11-32-19(17)20(28)26(22(25)30)16-5-3-4-15(23)12-16/h3-5,8,11-12,14H,2,6-7,9-10,13H2,1H3InChIKey
CNQJLWNIRNVSEV-UHFFFAOYSA-NSynonyms
CCOC(=O)C1CCN(CC1)C(=O)CN2C3=C(C(=O)N(C2=O)C4=CC(=CC=C4)Cl)SC=C3
ethyl1((3(3chlorophenyl)24dioxo34dihydrothieno(32d)pyrimidin1(2H)yl)acetyl)piperidine4carboxylate
ethyl1(2(3(3chlorophenyl)24dioxothieno(32d)pyrimidin1yl)acetyl)piperidine4carboxylate
InChI=1SC22H22ClN3O5Sc123121(29)146924(10714)18(27)1325178113219(17)20(28)26(22(25)30)1653415(23)1216h358111214H26791013H21H3
MFCD18198860
ZINC000067218098
ZINC67218098
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