Vitas-M small molecule compound
methyl (1R,2R,3R,3aS)-3-cyano-2-(4-nitrophenyl)-1-(phenylcarbonyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Catalog ID
STK547872
SMILES COC(=O)[C@]1(C#N)[C@@H](c2ccc(cc2)[N+](=O)[O-])[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 C28H21N3O5 MW 479.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N3O5/c1-36-27(33)28(17-29)23-16-13-18-7-5-6-10-22(18)30(23)25(26(32)20-8-3-2-4-9-20)24(28)19-11-14-21(15-12-19)31(34)35/h2-16,23-25H,1H3/t23-,24-,25+,28-/m0/s1InChIKey
PJPFYYLRXGXFRX-CDILPITASA-NSynonyms
956989-09-6(1R2R3R3aS)methyl1benzoyl3cyano2(4nitrophenyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
956989096
COC(=O)(C@)1(C#N)(C@@H)(c2ccc(cc2)(N+)(=O)(O))(C@@H)(N2(C@H)1C=Cc1c2cccc1)C(=O)c1ccccc1
COC(=O)C1(C2C=CC3=CC=CC=C3N2C(C1C4=CC=C(C=C4)(N+)(=O)(O))C(=O)C5=CC=CC=C5)C#N
InChI=1SC28H21N3O5c13627(33)28(1729)231613187561022(18)30(23)25(26(32)208324920)24(28)19111421(151219)31(34)35h2162325H1H3t232425+28m0s1
methyl(1R2R3R3aS)1benzoyl3cyano2(4nitrophenyl)23adihydro1Hpyrrolo(12a)quinoline3carboxylate
methyl(1R2R3R3aS)3cyano2(4nitrophenyl)1(phenylcarbonyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
MFCD18242378
ZINC000009019377
ZINC09019377
ZINC9019377
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.