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methyl (1R,2R,3S,3aS)-1-[(3-bromo-4-methoxyphenyl)carbonyl]-3-cyano-2-(3,4-dimethoxyphenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate

Catalog ID
STK545723
SMILES COc1ccc(cc1Br)C(=O)[C@@H]1N2c3ccccc3C=C[C@H]2[C@@]([C@H]1c1ccc(c(c1)OC)OC)(C#N)C(=O)OC

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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 C31H27BrN2O6 MW 603.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27BrN2O6/c1-37-23-12-10-20(15-21(23)32)29(35)28-27(19-9-13-24(38-2)25(16-19)39-3)31(17-33,30(36)40-4)26-14-11-18-7-5-6-8-22(18)34(26)28/h5-16,26-28H,1-4H3/t26-,27-,28+,31+/m0/s1
InChIKey
HWFMFJUGIBSUDH-KJLZTZQRSA-N
Synonyms

(1R2R3S3aS)methyl1(3bromo4methoxybenzoyl)3cyano2(34dimethoxyphenyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
COC1=C(C=C(C=C1)C2C(N3C(C2(C#N)C(=O)OC)C=CC4=CC=CC=C43)C(=O)C5=CC(=C(C=C5)OC)Br)OC
COc1ccc(cc1Br)C(=O)(C@@H)1N2c3ccccc3C=C(C@H)2(C@@)((C@H)1c1ccc(c(c1)OC)OC)(C#N)C(=O)OC
InChI=1SC31H27BrN2O6c13723121020(1521(23)32)29(35)2827(1991324(382)25(1619)393)31(173330(36)404)26141118756822(18)34(26)28h5162628H14H3t262728+31+m0s1
methyl(1R2R3S3aS)1((3bromo4methoxyphenyl)carbonyl)3cyano2(34dimethoxyphenyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
methyl(1R2R3S3aS)1(3bromo4methoxybenzoyl)3cyano2(34dimethoxyphenyl)23adihydro1Hpyrrolo(12a)quinoline3carboxylate
MFCD18242233
ZINC000102442464
ZINC102442464

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Available files

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