Vitas-M small molecule compound
methyl (1R,2R,3R,3aS)-2-(4-bromophenyl)-3-cyano-1-(phenylcarbonyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Catalog ID
STK541449
SMILES COC(=O)[C@]1(C#N)[C@@H](c2ccc(cc2)Br)[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 C28H21BrN2O3 MW 513.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21BrN2O3/c1-34-27(33)28(17-30)23-16-13-18-7-5-6-10-22(18)31(23)25(26(32)20-8-3-2-4-9-20)24(28)19-11-14-21(29)15-12-19/h2-16,23-25H,1H3/t23-,24-,25+,28-/m0/s1InChIKey
SBNDRFPXVQFSEC-CDILPITASA-NSynonyms
1014041-44-1(1R2R3R3aS)methyl1benzoyl2(4bromophenyl)3cyano1233atetrahydropyrrolo(12a)quinoline3carboxylate
1014041441
COC(=O)(C@)1(C#N)(C@@H)(c2ccc(cc2)Br)(C@@H)(N2(C@H)1C=Cc1c2cccc1)C(=O)c1ccccc1
COC(=O)C1(C2C=CC3=CC=CC=C3N2C(C1C4=CC=C(C=C4)Br)C(=O)C5=CC=CC=C5)C#N
InChI=1SC28H21BrN2O3c13427(33)28(1730)231613187561022(18)31(23)25(26(32)208324920)24(28)19111421(29)151219h2162325H1H3t232425+28m0s1
methyl(1R2R3R3aS)1benzoyl2(4bromophenyl)3cyano23adihydro1Hpyrrolo(12a)quinoline3carboxylate
methyl(1R2R3R3aS)2(4bromophenyl)3cyano1(phenylcarbonyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
MFCD18241904
ZINC000009356906
ZINC09356906
ZINC9356906
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.