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

Catalog ID
STK525926
SMILES N#CC1(C#N)[C@@H](c2ccc(cc2)SC)[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 C32H31N3OS MW 505.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31N3OS/c1-37-25-8-6-24(7-9-25)27-28(30(36)31-15-20-12-21(16-31)14-22(13-20)17-31)35-11-10-23-4-2-3-5-26(23)29(35)32(27,18-33)19-34/h2-11,20-22,27-29H,12-17H2,1H3/t20?,21?,22?,27-,28+,29-,31?/m0/s1
InChIKey
OYXDAVMKCXOPLR-SOHPDCFESA-N
Synonyms
303051-62-9
(2R3R10bS)2(4(methylsulfanyl)phenyl)3(tricyclo(3311~37~)dec1ylcarbonyl)23dihydropyrrolo(21a)isoquinoline11(10bH)dicarbonitrile
(2R3R10bS)3((1s3S)adamantane1carbonyl)2(4(methylthio)phenyl)23dihydropyrrolo(21a)isoquinoline11(10bH)dicarbonitrile
(2R3R10bS)3(adamantane1carbonyl)2(4methylsulfanylphenyl)310bdihydro2Hpyrrolo(21a)isoquinoline11dicarbonitrile
303051629
CSC1=CC=C(C=C1)C2C(N3C=CC4=CC=CC=C4C3C2(C#N)C#N)C(=O)C56CC7CC(C5)CC(C7)C6
InChI=1SC32H31N3OSc137258624(7925)2728(30(36)3115201221(1631)1422(1320)1731)35111023423526(23)29(35)32(271833)1934h21120222729H1217H21H3t20?21?22?2728+2931?m0s1
N#CC1(C#N)(C@@H)(c2ccc(cc2)SC)(C@@H)(N2(C@H)1c1ccccc1C=C2)C(=O)C12CC3CC(C2)CC(C1)C3
ZINC000035366074
ZINC35366074

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Available files

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