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

Catalog ID
STK576548
SMILES O=C1N(c2ccc3c(c2)OCO3)C(=O)[C@@H]2[C@H]1[C@H]1C[C@@H]2[C@@H]2[C@H]1C(=NO2)c1ccc(cc1)OCc1ccccc1

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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 C30H24N2O6 MW 508.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24N2O6/c33-29-24-20-13-21(25(24)30(34)32(29)18-8-11-22-23(12-18)37-15-36-22)28-26(20)27(31-38-28)17-6-9-19(10-7-17)35-14-16-4-2-1-3-5-16/h1-12,20-21,24-26,28H,13-15H2/t20-,21+,24+,25-,26+,28+/m0/s1
InChIKey
PSXNBBCJEXZBLZ-LQZAGOQOSA-N
Synonyms
1164488-18-9
(3aR4R4aR7aS8R8aR)6(13benzodioxol5yl)3(4(benzyloxy)phenyl)4a7a88atetrahydro3aH48methano(12)oxazolo(45f)isoindole57(4H6H)dione
(3aR4R4aR7aS8R8aR)6(benzo(d)(13)dioxol5yl)3(4(benzyloxy)phenyl)44a88atetrahydro3aH48methanoisoxazolo(45f)isoindole57(6H7aH)dione
1164488189
C1C2C3C(C1C4C2C(=NO4)C5=CC=C(C=C5)OCC6=CC=CC=C6)C(=O)N(C3=O)C7=CC8=C(C=C7)OCO8
InChI=1SC30H24N2O6c332924201321(25(24)30(34)32(29)188112223(1218)37153622)2826(20)27(313828)176919(10717)3514164213516h1122021242628H1315H2t2021+2425+2628m1s1
MFCD18245555
O=C1N(c2ccc3c(c2)OCO3)C(=O)(C@@H)2(C@H)1(C@@H)1C(C@H)2(C@@H)2(C@H)1C(=NO2)c1ccc(cc1)OCc1ccccc1
O=C1N(c2ccc3c(c2)OCO3)C(=O)(C@@H)2(C@H)1(C@H)1C(C@@H)2(C@@H)2(C@H)1C(=NO2)c1ccc(cc1)OCc1ccccc1
ZINC000008773108

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Available files

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