Vitas-M small molecule compound
ethyl (1S,2S,3S)-3-cyano-1-(2,2-dimethylpropanoyl)-2-(4-nitrophenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Catalog ID
STK554371
SMILES CCOC(=O)[C@@]1(C#N)[C@H](c2ccc(cc2)[N+](=O)[O-])[C@H](N2C1C=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 C27H27N3O5 MW 473.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O5/c1-5-35-25(32)27(16-28)21-15-12-17-8-6-7-9-20(17)29(21)23(24(31)26(2,3)4)22(27)18-10-13-19(14-11-18)30(33)34/h6-15,21-23H,5H2,1-4H3/t21?,22-,23+,27-/m1/s1InChIKey
HCYYIRCJIHTTLP-FTLVJZLWSA-NSynonyms
1014101-99-5(1S2S3S)ethyl3cyano2(4nitrophenyl)1pivaloyl1233atetrahydropyrrolo(12a)quinoline3carboxylate
1014101995
CCOC(=O)(C@@)1(C#N)(C@H)(c2ccc(cc2)(N+)(=O)(O))(C@H)(N2C1C=Cc1c2cccc1)C(=O)C(C)(C)C
CCOC(=O)C1(C2C=CC3=CC=CC=C3N2C(C1C4=CC=C(C=C4)(N+)(=O)(O))C(=O)C(C)(C)C)C#N
ethyl(1S2S3S)3cyano1(22dimethylpropanoyl)2(4nitrophenyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
ethyl(1S2S3S)3cyano1(22dimethylpropanoyl)2(4nitrophenyl)23adihydro1Hpyrrolo(12a)quinoline3carboxylate
InChI=1SC27H27N3O5c153525(32)27(1628)21151217867920(17)29(21)23(24(31)26(23)4)22(27)18101319(141118)30(33)34h6152123H5H214H3t21?2223+27m1s1
MFCD18242794
ZINC000009462488
ZINC000009462489
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.