Vitas-M small molecule compound
methyl (1R,2R,3R,3aS)-3-cyano-2-(furan-2-yl)-1-(phenylcarbonyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Catalog ID
STK546569
SMILES COC(=O)[C@]1(C#N)[C@@H](c2ccco2)[C@@H](N2[C@H]1C=Cc1c2cccc1)C(=O)c1ccccc1
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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 C26H20N2O4 MW 424.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N2O4/c1-31-25(30)26(16-27)21-14-13-17-8-5-6-11-19(17)28(21)23(22(26)20-12-7-15-32-20)24(29)18-9-3-2-4-10-18/h2-15,21-23H,1H3/t21-,22-,23+,26-/m0/s1InChIKey
AMDYKVAEYNBWND-WOLJRWFJSA-NSynonyms
956989-02-9(1R2R3R3aS)methyl1benzoyl3cyano2(furan2yl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
956989029
COC(=O)(C@)1(C#N)(C@@H)(c2ccco2)(C@@H)(N2(C@H)1C=Cc1c2cccc1)C(=O)c1ccccc1
COC(=O)C1(C2C=CC3=CC=CC=C3N2C(C1C4=CC=CO4)C(=O)C5=CC=CC=C5)C#N
InChI=1SC26H20N2O4c13125(30)26(1627)211413178561119(17)28(21)23(22(26)20127153220)24(29)1893241018h2152123H1H3t212223+26m0s1
methyl(1R2R3R3aS)1benzoyl3cyano2(furan2yl)23adihydro1Hpyrrolo(12a)quinoline3carboxylate
methyl(1R2R3R3aS)3cyano2(furan2yl)1(phenylcarbonyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
MFCD18242299
ZINC000009195593
ZINC09195593
ZINC9195593
Check stock
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Check stock on Vitas-MAvailable files
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