Vitas-M small molecule compound
ethyl (1R,2R,3R,3aS)-3-cyano-1-(2,2-dimethylpropanoyl)-2-(furan-2-yl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Catalog ID
STK553598
SMILES CCOC(=O)[C@]1(C#N)[C@@H](c2ccco2)[C@@H](N2[C@H]1C=Cc1c2cccc1)C(=O)C(C)(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 C25H26N2O4 MW 418.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O4/c1-5-30-23(29)25(15-26)19-13-12-16-9-6-7-10-17(16)27(19)21(22(28)24(2,3)4)20(25)18-11-8-14-31-18/h6-14,19-21H,5H2,1-4H3/t19-,20-,21+,25-/m0/s1InChIKey
HGRBKXLQZQPZDV-HULNYRCFSA-NSynonyms
1212437-00-7(1R2R3R3aS)ethyl3cyano2(furan2yl)1pivaloyl1233atetrahydropyrrolo(12a)quinoline3carboxylate
1212437007
CCOC(=O)(C@)1(C#N)(C@@H)(c2ccco2)(C@@H)(N2(C@H)1C=Cc1c2cccc1)C(=O)C(C)(C)C
CCOC(=O)C1(C2C=CC3=CC=CC=C3N2C(C1C4=CC=CO4)C(=O)C(C)(C)C)C#N
ethyl(1R2R3R3aS)3cyano1(22dimethylpropanoyl)2(furan2yl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
ethyl(1R2R3R3aS)3cyano1(22dimethylpropanoyl)2(furan2yl)23adihydro1Hpyrrolo(12a)quinoline3carboxylate
InChI=1SC25H26N2O4c153023(29)25(1526)191312169671017(16)27(19)21(22(28)24(23)4)20(25)18118143118h6141921H5H214H3t192021+25m0s1
MFCD18242728
ZINC000005091611
ZINC05091611
ZINC5091611
Check stock
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