Vitas-M small molecule compound

dimethyl 5-(7,8-dimethoxy-1-oxo-3-thioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl)benzene-1,3-dicarboxylate

Catalog ID
STK262718
SMILES COC(=O)c1cc(cc(c1)C(=O)OC)N1C(=O)C2N(C1=S)Cc1c(C2)cc(c(c1)OC)OC

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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 C23H22N2O7S MW 470.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O7S/c1-29-18-9-12-8-17-20(26)25(23(33)24(17)11-15(12)10-19(18)30-2)16-6-13(21(27)31-3)5-14(7-16)22(28)32-4/h5-7,9-10,17H,8,11H2,1-4H3
InChIKey
FDQKMQCKYRYXKL-UHFFFAOYSA-N
Synonyms

COC1=C(C=C2CN3C(CC2=C1)C(=O)N(C3=S)C4=CC(=CC(=C4)C(=O)OC)C(=O)OC)OC
dimethyl5(78dimethoxy1oxo3sulfanylidene1010adihydro5Himidazo(15b)isoquinolin2yl)benzene13dicarboxylate
dimethyl5(78dimethoxy1oxo3thioxo151010atetrahydroimidazo(15b)isoquinolin2(3H)yl)benzene13dicarboxylate
InChI=1SC23H22N2O7Sc1291891281720(26)25(23(33)24(17)1115(12)1019(18)302)16613(21(27)313)514(716)22(28)324h5791017H811H214H3
MFCD07626855
ZINC000008770502
ZINC000008770506

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Available files

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