Vitas-M small molecule compound
(1S,2S,3aR)-2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)carbonyl]-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK754957
SMILES COc1ccc(cc1)C(=O)[C@H]1N2c3ccccc3C=C[C@@H]2C([C@@H]1c1ccc(cc1)OC)(C#N)C#N
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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 C29H23N3O3 MW 461.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N3O3/c1-34-22-12-7-20(8-13-22)26-27(28(33)21-9-14-23(35-2)15-10-21)32-24-6-4-3-5-19(24)11-16-25(32)29(26,17-30)18-31/h3-16,25-27H,1-2H3/t25-,26-,27+/m1/s1InChIKey
SGTCURCKMFXAGO-PFBJBMPXSA-NSynonyms
293312-86-4(1S2S3aR)1(4methoxybenzoyl)2(4methoxyphenyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2S3AR)1(4METHOXYBENZOYL)2(4METHOXYPHENYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
(1S2S3aR)2(4methoxyphenyl)1((4methoxyphenyl)carbonyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
293312864
COC1=CC=C(C=C1)C2C(N3C(C2(C#N)C#N)C=CC4=CC=CC=C43)C(=O)C5=CC=C(C=C5)OC
COc1ccc(cc1)C(=O)(C@H)1N2c3ccccc3C=C(C@@H)2C((C@@H)1c1ccc(cc1)OC)(C#N)C#N
InChI=1SC29H23N3O3c1342212720(81322)2627(28(33)2191423(352)151021)3224643519(24)111625(32)29(261730)1831h3162527H12H3t252627+m1s1
MFCD13372069
ZINC000001057451
ZINC01057451
ZINC1057451
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.