Vitas-M small molecule compound
ethyl (1R,2R,3R,3aS)-1-{[4-(acetyloxy)phenyl]carbonyl}-3-cyano-2-(furan-2-yl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Catalog ID
STK557942
SMILES CCOC(=O)[C@]1(C#N)[C@@H](c2ccco2)[C@@H](N2[C@H]1C=Cc1c2cccc1)C(=O)c1ccc(cc1)OC(=O)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 C29H24N2O6 MW 496.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O6/c1-3-35-28(34)29(17-30)24-15-12-19-7-4-5-8-22(19)31(24)26(25(29)23-9-6-16-36-23)27(33)20-10-13-21(14-11-20)37-18(2)32/h4-16,24-26H,3H2,1-2H3/t24-,25-,26+,29-/m0/s1InChIKey
CTCYTGUEYIQDTL-QNVWVOQGSA-NSynonyms
1013803-80-9(1R2R3R3aS)ethyl1(4acetoxybenzoyl)3cyano2(furan2yl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
1013803809
CCOC(=O)(C@)1(C#N)(C@@H)(c2ccco2)(C@@H)(N2(C@H)1C=Cc1c2cccc1)C(=O)c1ccc(cc1)OC(=O)C
CCOC(=O)C1(C2C=CC3=CC=CC=C3N2C(C1C4=CC=CO4)C(=O)C5=CC=C(C=C5)OC(=O)C)C#N
ethyl(1R2R3R3aS)1((4(acetyloxy)phenyl)carbonyl)3cyano2(furan2yl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
ethyl(1R2R3R3aS)1(4acetyloxybenzoyl)3cyano2(furan2yl)23adihydro1Hpyrrolo(12a)quinoline3carboxylate
InChI=1SC29H24N2O6c133528(34)29(1730)24151219745822(19)31(24)26(25(29)2396163623)27(33)20101321(141120)3718(2)32h4162426H3H212H3t242526+29m0s1
MFCD18243048
ZINC000009425319
ZINC09425319
ZINC9425319
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.