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(3aR,4S,9aR,9bS)-4-[(3-bromo-4-methoxyphenyl)carbonyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-(phenylcarbonyl)-3a,4,9a,9b-tetrahydro-1H-pyrrolo[3,4-a]indolizine-1,3(2H)-dione

Catalog ID
STK545555
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)OCCO2)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 C33H25BrN2O7 MW 641.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H25BrN2O7/c1-41-24-9-7-19(15-22(24)34)31(38)29-28-27(23-16-20(11-12-35(23)29)30(37)18-5-3-2-4-6-18)32(39)36(33(28)40)21-8-10-25-26(17-21)43-14-13-42-25/h2-12,15-17,23,27-29H,13-14H2,1H3/t23-,27-,28-,29+/m1/s1
InChIKey
LBPJACZUUPIXHK-RULIXLRNSA-N
Synonyms

(3aR4S9aR9bS)4((3bromo4methoxyphenyl)carbonyl)2(23dihydro14benzodioxin6yl)8(phenylcarbonyl)3a49a9btetrahydro1Hpyrrolo(34a)indolizine13(2H)dione
(3aR4S9aR9bS)8benzoyl4(3bromo4methoxybenzoyl)2(23dihydro14benzodioxin6yl)3a49a9btetrahydropyrrolo(34a)indolizine13dione
(3aR4S9aR9bS)8benzoyl4(3bromo4methoxybenzoyl)2(23dihydrobenzo(b)(14)dioxin6yl)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)OCCO7)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)OCCO2)C(=O)c1ccccc1
InChI=1SC33H25BrN2O7c141249719(1522(24)34)31(38)292827(231620(111235(23)29)30(37)185324618)32(39)36(33(28)40)218102526(1721)4314134225h2121517232729H1314H21H3t23272829+m1s1
MFCD18242227
ZINC000150429234
ZINC150429234

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Available files

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