Vitas-M small molecule compound
methyl (1R,2R,3R,3aS)-3-cyano-2-[4-(dimethylamino)phenyl]-1-(phenylcarbonyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Catalog ID
STK547633
SMILES COC(=O)[C@]1(C#N)[C@@H](c2ccc(cc2)N(C)C)[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 C30H27N3O3 MW 477.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27N3O3/c1-32(2)23-16-13-21(14-17-23)26-27(28(34)22-10-5-4-6-11-22)33-24-12-8-7-9-20(24)15-18-25(33)30(26,19-31)29(35)36-3/h4-18,25-27H,1-3H3/t25-,26-,27+,30-/m0/s1InChIKey
FVSQEEUFDHEBNH-MHTMXISKSA-NSynonyms
956157-25-8(1R2R3R3aS)methyl1benzoyl3cyano2(4(dimethylamino)phenyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
956157258
CN(C)C1=CC=C(C=C1)C2C(N3C(C2(C#N)C(=O)OC)C=CC4=CC=CC=C43)C(=O)C5=CC=CC=C5
COC(=O)(C@)1(C#N)(C@@H)(c2ccc(cc2)N(C)C)(C@@H)(N2(C@H)1C=Cc1c2cccc1)C(=O)c1ccccc1
InChI=1SC30H27N3O3c132(2)23161321(141723)2627(28(34)22105461122)33241287920(24)151825(33)30(261931)29(35)363h4182527H13H3t252627+30m0s1
methyl(1R2R3R3aS)1benzoyl3cyano2(4(dimethylamino)phenyl)23adihydro1Hpyrrolo(12a)quinoline3carboxylate
methyl(1R2R3R3aS)3cyano2(4(dimethylamino)phenyl)1(phenylcarbonyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
MFCD18242358
ZINC000009086534
ZINC09086534
ZINC9086534
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.