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(3aR,4S,9aR,9bS)-2-(1,3-benzodioxol-5-yl)-4-[(3-bromo-4-methoxyphenyl)carbonyl]-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione

Catalog ID
STK546818
SMILES COc1ccc(cc1Br)C(=O)[C@H]1N2C=CC(=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2)C(=O)c1ccccc1

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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 C32H23BrN2O7 MW 627.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H23BrN2O7/c1-40-23-9-7-18(13-21(23)33)30(37)28-27-26(22-14-19(11-12-34(22)28)29(36)17-5-3-2-4-6-17)31(38)35(32(27)39)20-8-10-24-25(15-20)42-16-41-24/h2-15,22,26-28H,16H2,1H3/t22-,26-,27-,28+/m1/s1
InChIKey
AAGHCPNXUMZKEU-IIWBRFRESA-N
Synonyms

(3aR4S9aR9bS)2(13benzodioxol5yl)4((3bromo4methoxyphenyl)carbonyl)8(phenylcarbonyl)3a49a9btetrahydro1Hpyrrolo(34a)indolizine13(2H)dione
(3aR4S9aR9bS)2(13benzodioxol5yl)8benzoyl4(3bromo4methoxybenzoyl)3a49a9btetrahydropyrrolo(34a)indolizine13dione
(3aR4S9aR9bS)2(benzo(d)(13)dioxol5yl)8benzoyl4(3bromo4methoxybenzoyl)3a49a9btetrahydro1Hpyrrolo(34a)indolizine13(2H)dione
COC1=C(C=C(C=C1)C(=O)C2C3C(C4N2C=CC(=C4)C(=O)C5=CC=CC=C5)C(=O)N(C3=O)C6=CC7=C(C=C6)OCO7)Br
COc1ccc(cc1Br)C(=O)(C@H)1N2C=CC(=C(C@@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc2c(c1)OCO2)C(=O)c1ccccc1
InChI=1SC32H23BrN2O7c140239718(1321(23)33)30(37)282726(221419(111234(22)28)29(36)175324617)31(38)35(32(27)39)208102425(1520)42164124h215222628H16H21H3t22262728+m1s1
MFCD18242312
ZINC000150429624
ZINC150429624

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Available files

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