Vitas-M small molecule compound

dimethyl 2-({[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetyl}amino)benzene-1,4-dicarboxylate

Catalog ID
STK887694
SMILES COC(=O)c1ccc(cc1NC(=O)CSc1nc(CC)c2c(c1C#N)CCCC2)C(=O)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 C24H25N3O5S MW 467.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N3O5S/c1-4-19-16-8-6-5-7-15(16)18(12-25)22(27-19)33-13-21(28)26-20-11-14(23(29)31-2)9-10-17(20)24(30)32-3/h9-11H,4-8,13H2,1-3H3,(H,26,28)
InChIKey
SVYDTYLPIRKBAS-UHFFFAOYSA-N
Synonyms

CCC1=C2CCCCC2=C(C(=N1)SCC(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC)C#N
dimethyl2((((4cyano1ethyl5678tetrahydroisoquinolin3yl)sulfanyl)acetyl)amino)benzene14dicarboxylate
dimethyl2((2((4cyano1ethyl5678tetrahydroisoquinolin3yl)sulfanyl)acetyl)amino)benzene14dicarboxylate
InChI=1SC24H25N3O5Sc141916865715(16)18(1225)22(2719)331321(28)26201114(23(29)312)91017(20)24(30)323h911H4813H213H3(H2628)
MFCD08532797
ZINC000012249733
ZINC12249733

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Available files

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