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2-[(3aR,4R,4aR,7aS,8R,8aR)-3-(4-methylphenyl)-5,7-dioxo-3a,4,4a,5,7,7a,8,8a-octahydro-6H-4,8-methano[1,2]oxazolo[4,5-f]isoindol-6-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Catalog ID
STK572037
SMILES N#Cc1c(sc2c1CCCC2)N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@H]2[C@@H]1ON=C2c1ccc(cc1)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 C26H23N3O3S MW 457.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O3S/c1-12-6-8-13(9-7-12)22-21-15-10-16(23(21)32-28-22)20-19(15)24(30)29(25(20)31)26-17(11-27)14-4-2-3-5-18(14)33-26/h6-9,15-16,19-21,23H,2-5,10H2,1H3/t15-,16+,19+,20-,21+,23+/m0/s1
InChIKey
QTVOOJVFMCBOBI-PUGIJZQRSA-N
Synonyms
1164459-30-6
1164459306
2((3aR4R4aR7aS8R8aR)3(4methylphenyl)57dioxo3a44a577a88aoctahydro6H48methano(12)oxazolo(45f)isoindol6yl)4567tetrahydro1benzothiophene3carbonitrile
2((3aR4R4aR7aS8R8aR)57dioxo3(ptolyl)4a577a88ahexahydro3aH48methanoisoxazolo(45f)isoindol6(4H)yl)4567tetrahydrobenzo(b)thiophene3carbonitrile
CC1=CC=C(C=C1)C2=NOC3C2C4CC3C5C4C(=O)N(C5=O)C6=C(C7=C(S6)CCCC7)C#N
InChI=1SC26H23N3O3Sc1126813(9712)2221151016(23(21)322822)2019(15)24(30)29(25(20)31)2617(1127)14423518(14)3326h691516192123H2510H21H3t1516+1920+2123m1s1
MFCD18245432
N#Cc1c(sc2c1CCCC2)N1C(=O)(C@H)2(C@@H)(C1=O)(C@@H)1C(C@H)2(C@H)2(C@@H)1ON=C2c1ccc(cc1)C
N#Cc1c(sc2c1CCCC2)N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)1C(C@@H)2(C@H)2(C@@H)1ON=C2c1ccc(cc1)C
ZINC000008773107

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Available files

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