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

Catalog ID
STK548654
SMILES COc1ccc(cc1Br)C(=O)[C@H]1N2C=CC(=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-])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 C31H22BrN3O7 MW 628.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H22BrN3O7/c1-42-24-12-7-18(15-22(24)32)29(37)27-26-25(30(38)34(31(26)39)20-8-10-21(11-9-20)35(40)41)23-16-19(13-14-33(23)27)28(36)17-5-3-2-4-6-17/h2-16,23,25-27H,1H3/t23-,25-,26-,27+/m1/s1
InChIKey
KUZZJWVGOBAOQL-WSEBHVOGSA-N
Synonyms

(3aR4S9aR9bS)4((3bromo4methoxyphenyl)carbonyl)2(4nitrophenyl)8(phenylcarbonyl)3a49a9btetrahydro1Hpyrrolo(34a)indolizine13(2H)dione
(3aR4S9aR9bS)8benzoyl4(3bromo4methoxybenzoyl)2(4nitrophenyl)3a49a9btetrahydro1Hpyrrolo(34a)indolizine13(2H)dione
(3aR4S9aR9bS)8benzoyl4(3bromo4methoxybenzoyl)2(4nitrophenyl)3a49a9btetrahydropyrrolo(34a)indolizine13dione
COC1=C(C=C(C=C1)C(=O)C2C3C(C4N2C=CC(=C4)C(=O)C5=CC=CC=C5)C(=O)N(C3=O)C6=CC=C(C=C6)(N+)(=O)(O))Br
COc1ccc(cc1Br)C(=O)(C@H)1N2C=CC(=C(C@@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc(cc1)(N+)(=O)(O))C(=O)c1ccccc1
InChI=1SC31H22BrN3O7c1422412718(1522(24)32)29(37)272625(30(38)34(31(26)39)2081021(11920)35(40)41)231619(131433(23)27)28(36)175324617h216232527H1H3t23252627+m1s1
MFCD18242431
ZINC000150429168
ZINC150429168

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Available files

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