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

Catalog ID
STK544768
SMILES Brc1ccc(cc1)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 C31H21BrN2O6 MW 597.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H21BrN2O6/c32-20-8-6-18(7-9-20)29(36)27-26-25(22-14-19(12-13-33(22)27)28(35)17-4-2-1-3-5-17)30(37)34(31(26)38)21-10-11-23-24(15-21)40-16-39-23/h1-15,22,25-27H,16H2/t22-,25-,26-,27+/m1/s1
InChIKey
HCCOQHFZWAOTQM-WELLZUMNSA-N
Synonyms

(3aR4S9aR9bS)2(13benzodioxol5yl)4((4bromophenyl)carbonyl)8(phenylcarbonyl)3a49a9btetrahydro1Hpyrrolo(34a)indolizine13(2H)dione
(3aR4S9aR9bS)2(13benzodioxol5yl)8benzoyl4(4bromobenzoyl)3a49a9btetrahydropyrrolo(34a)indolizine13dione
(3aR4S9aR9bS)2(benzo(d)(13)dioxol5yl)8benzoyl4(4bromobenzoyl)3a49a9btetrahydro1Hpyrrolo(34a)indolizine13(2H)dione
Brc1ccc(cc1)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
C1OC2=C(O1)C=C(C=C2)N3C(=O)C4C5C=C(C=CN5C(C4C3=O)C(=O)C6=CC=C(C=C6)Br)C(=O)C7=CC=CC=C7
InChI=1SC31H21BrN2O6c32208618(7920)29(36)272625(221419(121333(22)27)28(35)174213517)30(37)34(31(26)38)2110112324(1521)40163923h115222527H16H2t22252627+m1s1
MFCD18242173
ZINC000101068883
ZINC101068883

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Available files

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