Vitas-M small molecule compound

ethyl 5-methyl-4-oxo-3-[1-oxo-1-(propan-2-yloxy)butan-2-yl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate

Catalog ID
STK842312
SMILES CCOC(=O)c1sc2c(c1C)c(=O)n(cn2)C(C(=O)OC(C)C)CC

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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 C17H22N2O5S MW 366.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N2O5S/c1-6-11(16(21)24-9(3)4)19-8-18-14-12(15(19)20)10(5)13(25-14)17(22)23-7-2/h8-9,11H,6-7H2,1-5H3
InChIKey
FFXIQBQRLCIJJJ-UHFFFAOYSA-N
Synonyms
459418-45-2
459418452
CCC(C(=O)OC(C)C)N1C=NC2=C(C1=O)C(=C(S2)C(=O)OCC)C
ethyl3(1isopropoxy1oxobutan2yl)5methyl4oxo34dihydrothieno(23d)pyrimidine6carboxylate
ETHYL5METHYL4OXO3((2R)1OXO1(PROPAN2YLOXY)BUTAN2YL)34DIHYDROTHIENO(23D)PYRIMIDINE6CARBOXYLATE
ETHYL5METHYL4OXO3((2S)1OXO1(PROPAN2YLOXY)BUTAN2YL)34DIHYDROTHIENO(23D)PYRIMIDINE6CARBOXYLATE
ethyl5methyl4oxo3(1oxo1(propan2yloxy)butan2yl)34dihydrothieno(23d)pyrimidine6carboxylate
ETHYL5METHYL4OXO3(1OXO1PROPAN2YLOXYBUTAN2YL)THIENO(23D)PYRIMIDINE6CARBOXYLATE
InChI=1SC17H22N2O5Sc1611(16(21)249(3)4)198181412(15(19)20)10(5)13(2514)17(22)2372h8911H67H215H3
METHYLETHYL2(6(ETHOXYCARBONYL)5METHYL4OXO3HYDROTHIOPHENO(23D)PYRIMIDIN3YL)BUTANOATE
MFCD02967713
ZINC000000921190
ZINC000000921191

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.