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methyl (1R,2R,3R,3aS)-1-{[4-(acetyloxy)phenyl]carbonyl}-3-cyano-2-[4-(dimethylamino)phenyl]-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate

Catalog ID
STK557529
SMILES COC(=O)[C@]1(C#N)[C@@H](c2ccc(cc2)N(C)C)[C@@H](N2[C@H]1C=Cc1c2cccc1)C(=O)c1ccc(cc1)OC(=O)C

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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 C32H29N3O5 MW 535.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29N3O5/c1-20(36)40-25-16-11-23(12-17-25)30(37)29-28(22-9-14-24(15-10-22)34(2)3)32(19-33,31(38)39-4)27-18-13-21-7-5-6-8-26(21)35(27)29/h5-18,27-29H,1-4H3/t27-,28-,29+,32-/m0/s1
InChIKey
WRCGHEMWUFRQPX-PBLVZDHJSA-N
Synonyms
1013769-00-0
(1R2R3R3aS)methyl1(4acetoxybenzoyl)3cyano2(4(dimethylamino)phenyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
1013769000
CC(=O)OC1=CC=C(C=C1)C(=O)C2C(C(C3N2C4=CC=CC=C4C=C3)(C#N)C(=O)OC)C5=CC=C(C=C5)N(C)C
COC(=O)(C@)1(C#N)(C@@H)(c2ccc(cc2)N(C)C)(C@@H)(N2(C@H)1C=Cc1c2cccc1)C(=O)c1ccc(cc1)OC(=O)C
InChI=1SC32H29N3O5c120(36)4025161123(121725)30(37)2928(2291424(151022)34(2)3)32(193331(38)394)27181321756826(21)35(27)29h5182729H14H3t272829+32m0s1
methyl(1R2R3R3aS)1((4(acetyloxy)phenyl)carbonyl)3cyano2(4(dimethylamino)phenyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
methyl(1R2R3R3aS)1(4acetyloxybenzoyl)3cyano2(4(dimethylamino)phenyl)23adihydro1Hpyrrolo(12a)quinoline3carboxylate
METHYL(1R2R3R3AS)1(4ACETYLOXYBENZOYL)3CYANO2(4DIMETHYLAMINOPHENYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE3CARBOXYLATE
MFCD18243010
ZINC000101074929
ZINC101074929

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Available files

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