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(2R,3R,10bS)-2-(4-chloro-3-nitrophenyl)-3-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile

Catalog ID
STK525672
SMILES N#CC1(C#N)[C@@H](c2ccc(c(c2)[N+](=O)[O-])Cl)[C@@H](N2[C@H]1c1ccccc1C=C2)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 C31H27ClN4O3 MW 539.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27ClN4O3/c32-24-6-5-22(12-25(24)36(38)39)26-27(29(37)30-13-18-9-19(14-30)11-20(10-18)15-30)35-8-7-21-3-1-2-4-23(21)28(35)31(26,16-33)17-34/h1-8,12,18-20,26-28H,9-11,13-15H2/t18?,19?,20?,26-,27+,28-,30?/m0/s1
InChIKey
GBDHPYDFFZZLEP-MWGIVGCISA-N
Synonyms
459438-03-0
(2R3R10bS)2(4chloro3nitrophenyl)3(tricyclo(3311~37~)dec1ylcarbonyl)23dihydropyrrolo(21a)isoquinoline11(10bH)dicarbonitrile
(2R3R10bS)3((3R5R7R)adamantane1carbonyl)2(4chloro3nitrophenyl)23dihydropyrrolo(21a)isoquinoline11(10bH)dicarbonitrile
(2R3R10bS)3(adamantane1carbonyl)2(4chloro3nitrophenyl)310bdihydro2Hpyrrolo(21a)isoquinoline11dicarbonitrile
459438030
C1C2CC3CC1CC(C2)(C3)C(=O)C4C(C(C5N4C=CC6=CC=CC=C56)(C#N)C#N)C7=CC(=C(C=C7)Cl)(N+)(=O)(O)
InChI=1SC31H27ClN4O3c32246522(1225(24)36(38)39)2627(29(37)301318919(1430)1120(1018)1530)358721312423(21)28(35)31(261633)1734h181218202628H9111315H2t18?19?20?2627+2830?m0s1
N#CC1(C#N)(C@@H)(c2ccc(c(c2)(N+)(=O)(O))Cl)(C@@H)(N2(C@H)1c1ccccc1C=C2)C(=O)C12CC3CC(C2)CC(C1)C3
ZINC000100676378
ZINC100676378

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Available files

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