Vitas-M small molecule compound
methyl (1S,2S,3S)-3-cyano-1-(2,2-dimethylpropanoyl)-2-(4-methoxyphenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Catalog ID
STK553992
SMILES COc1ccc(cc1)[C@@H]1[C@H](N2C([C@@]1(C#N)C(=O)OC)C=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 C27H28N2O4 MW 444.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O4/c1-26(2,3)24(30)23-22(18-10-13-19(32-4)14-11-18)27(16-28,25(31)33-5)21-15-12-17-8-6-7-9-20(17)29(21)23/h6-15,21-23H,1-5H3/t21?,22-,23+,27-/m1/s1InChIKey
SSDDMFLSOAWXQU-FTLVJZLWSA-NSynonyms
1014082-12-2(1S2S3S)methyl3cyano2(4methoxyphenyl)1pivaloyl1233atetrahydropyrrolo(12a)quinoline3carboxylate
1014082122
CC(C)(C)C(=O)C1C(C(C2N1C3=CC=CC=C3C=C2)(C#N)C(=O)OC)C4=CC=C(C=C4)OC
COc1ccc(cc1)(C@@H)1(C@H)(N2C((C@@)1(C#N)C(=O)OC)C=Cc1c2cccc1)C(=O)C(C)(C)C
InChI=1SC27H28N2O4c126(23)24(30)2322(18101319(324)141118)27(162825(31)335)21151217867920(17)29(21)23h6152123H15H3t21?2223+27m1s1
methyl(1S2S3S)3cyano1(22dimethylpropanoyl)2(4methoxyphenyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
methyl(1S2S3S)3cyano1(22dimethylpropanoyl)2(4methoxyphenyl)23adihydro1Hpyrrolo(12a)quinoline3carboxylate
MFCD18242762
ZINC000009461987
ZINC000009461989
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.