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(3aR,4R,4aR,7aS,8R,8aR)-6-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione

Catalog ID
STK584696
SMILES COc1cc(ccc1OC)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2

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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 C25H22N2O7 MW 462.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O7/c1-30-15-5-3-11(7-17(15)31-2)22-21-13-9-14(23(21)34-26-22)20-19(13)24(28)27(25(20)29)12-4-6-16-18(8-12)33-10-32-16/h3-8,13-14,19-21,23H,9-10H2,1-2H3/t13-,14+,19+,20-,21+,23+/m0/s1
InChIKey
ZQLHQYCVNJRKSX-UPLZHBHNSA-N
Synonyms
1164562-91-7
(3aR4R4aR7aS8R8aR)6(13benzodioxol5yl)3(34dimethoxyphenyl)4a7a88atetrahydro3aH48methano(12)oxazolo(45f)isoindole57(4H6H)dione
(3aR4R4aR7aS8R8aR)6(benzo(d)(13)dioxol5yl)3(34dimethoxyphenyl)44a88atetrahydro3aH48methanoisoxazolo(45f)isoindole57(6H7aH)dione
1164562917
COC1=C(C=C(C=C1)C2=NOC3C2C4CC3C5C4C(=O)N(C5=O)C6=CC7=C(C=C6)OCO7)OC
COc1cc(ccc1OC)C1=NO(C@H)2(C@@H)1(C@@H)1C(C@H)2(C@H)2(C@@H)1C(=O)N(C2=O)c1ccc2c(c1)OCO2
COc1cc(ccc1OC)C1=NO(C@H)2(C@@H)1(C@H)1C(C@@H)2(C@H)2(C@@H)1C(=O)N(C2=O)c1ccc2c(c1)OCO2
InChI=1SC25H22N2O7c130155311(717(15)312)222113914(23(21)342622)2019(13)24(28)27(25(20)29)12461618(812)33103216h381314192123H910H212H3t1314+1920+2123m1s1
MFCD18245755
ZINC000008773099

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Available files

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