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(1S,2S,3aR)-2-(3,5-dimethoxyphenyl)-1-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile

Catalog ID
STK525901
SMILES N#CC1(C#N)[C@H](c2cc(OC)cc(c2)OC)[C@H](N2[C@@H]1C=Cc1c2cccc1)C(=O)C12CC3CC(C2)CC(C1)C3

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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 C33H33N3O3 MW 519.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33N3O3/c1-38-25-12-24(13-26(14-25)39-2)29-30(31(37)32-15-20-9-21(16-32)11-22(10-20)17-32)36-27-6-4-3-5-23(27)7-8-28(36)33(29,18-34)19-35/h3-8,12-14,20-22,28-30H,9-11,15-17H2,1-2H3/t20?,21?,22?,28-,29-,30+,32?/m1/s1
InChIKey
UGIMAGYBWLENAT-MSVKWORNSA-N
Synonyms
306740-27-2
(1S2S3aR)1((3S5S7S)adamantane1carbonyl)2(35dimethoxyphenyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2S3aR)1(adamantane1carbonyl)2(35dimethoxyphenyl)23adihydro1Hpyrrolo(12a)quinoline33dicarbonitrile
(1S2S3AR)1(ADAMANTANYLCARBONYL)2(35DIMETHOXYPHENYL)103ADIHYDROPYRROLIDINO(12A)QUINOLINE33DICARBONITRILE
(1S2S3aR)2(35dimethoxyphenyl)1(tricyclo(3311~37~)dec1ylcarbonyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
306740272
COC1=CC(=CC(=C1)C2C(N3C(C2(C#N)C#N)C=CC4=CC=CC=C43)C(=O)C56CC7CC(C5)CC(C7)C6)OC
InChI=1SC33H33N3O3c138251224(1326(1425)392)2930(31(37)321520921(1632)1122(1020)1732)3627643523(27)7828(36)33(291834)1935h38121420222830H9111517H212H3t20?21?22?282930+32?m1s1
N#CC1(C#N)(C@H)(c2cc(OC)cc(c2)OC)(C@H)(N2(C@@H)1C=Cc1c2cccc1)C(=O)C12CC3CC(C2)CC(C1)C3
ZINC000035045712
ZINC35045712

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Available files

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