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methyl 2-[(8S,8aR,11aS)-8-(1,3-benzodioxol-5-ylcarbonyl)-9,11-dioxo-8a,9,11a,11b-tetrahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinolin-10(11H)-yl]benzoate

Catalog ID
STL540762
SMILES COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2ccc3c(c2)OCO3)C=Cc2c1cccc2

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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 C30H22N2O7 MW 522.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H22N2O7/c1-37-30(36)19-8-4-5-9-20(19)32-28(34)23-24(29(32)35)26(27(33)17-10-11-21-22(14-17)39-15-38-21)31-13-12-16-6-2-3-7-18(16)25(23)31/h2-14,23-26H,15H2,1H3/t23-,24+,25?,26-/m0/s1
InChIKey
SMQBGCVLPNFXKE-HLMSNRGBSA-N
Synonyms
956817-11-1
16399910
956817111
COC(=O)c1ccccc1N1C(=O)(C@@H)2(C@H)(C1=O)C1N((C@@H)2C(=O)c2ccc3c(c2)OCO3)C=Cc2c1cccc2
InChI=1SC30H22N2O7c13730(36)19845920(19)3228(34)2324(29(32)35)26(27(33)1710112122(1417)39153821)31131216623718(16)25(23)31h2142326H15H21H3t2324+25?26m0s1
methyl2((11~(S)12~(R)16~(S))11(13benzodioxole5carbonyl)1315dioxo1014diazatetracyclo(8600^(27)0^(1216))hexadeca2468tetraen14yl)benzoate
methyl2((8S8aR11aS)8(13benzodioxol5ylcarbonyl)911dioxo8a911a11btetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11H)yl)benzoate
methyl2((8S8aR11aS)8(benzo(d)(13)dioxole5carbonyl)911dioxo8a91111atetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11bH)yl)benzoate
MFCD04146422
ZINC000070686890
ZINC000070686892

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Available files

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