Vitas-M small molecule compound

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

Catalog ID
STK969606
SMILES CCOC(=O)c1sc2c(c1C)c(=O)n(cn2)C(C(=O)OC(CC)C)C

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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/c1-6-9(3)24-16(21)11(5)19-8-18-14-12(15(19)20)10(4)13(25-14)17(22)23-7-2/h8-9,11H,6-7H2,1-5H3
InChIKey
IMOMHTJTYXVVQN-UHFFFAOYSA-N
Synonyms
459418-44-1
459418441
CCC(C)OC(=O)C(C)N1C=NC2=C(C1=O)C(=C(S2)C(=O)OCC)C
ETHYL3((2S)1((2R)BUTAN2YLOXY)1OXOPROPAN2YL)5METHYL4OXO34DIHYDROTHIENO(23D)PYRIMIDINE6CARBOXYLATE
ETHYL3((2S)1((2S)BUTAN2YLOXY)1OXOPROPAN2YL)5METHYL4OXO34DIHYDROTHIENO(23D)PYRIMIDINE6CARBOXYLATE
ethyl3(1(butan2yloxy)1oxopropan2yl)5methyl4oxo34dihydrothieno(23d)pyrimidine6carboxylate
ethyl3(1(secbutoxy)1oxopropan2yl)5methyl4oxo34dihydrothieno(23d)pyrimidine6carboxylate
ETHYL3(1BUTAN2YLOXY1OXOPROPAN2YL)5METHYL4OXOTHIENO(23D)PYRIMIDINE6CARBOXYLATE
InChI=1SC17H22N2O5Sc169(3)2416(21)11(5)198181412(15(19)20)10(4)13(2514)17(22)2372h8911H67H215H3
METHYLPROPYL2(6(ETHOXYCARBONYL)5METHYL4OXO3HYDROTHIOPHENO(23D)PYRIMIDIN3YL)PROPANOATE
MFCD02967706
ZINC000000921176
ZINC000000921181

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Available files

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