Vitas-M small molecule compound

methyl (8S,8aR,11aS,11bS)-10-(naphthalen-2-yl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylate

Catalog ID
STK558551
SMILES COC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1ccc2c(c1)cccc2

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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 C26H20N2O4 MW 424.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N2O4/c1-32-26(31)23-21-20(22-19-9-5-4-7-16(19)12-13-27(22)23)24(29)28(25(21)30)18-11-10-15-6-2-3-8-17(15)14-18/h2-14,20-23H,1H3/t20-,21+,22+,23-/m0/s1
InChIKey
ZWAWMFMLFCFDMR-AFXVXQJMSA-N
Synonyms
1014003-98-5
(8S8aR11aS11bS)methyl10(naphthalen2yl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxylate
1014003985
COC(=O)(C@@H)1(C@@H)2C(=O)N(C(=O)(C@@H)2(C@@H)2N1C=Cc1c2cccc1)c1ccc2c(c1)cccc2
COC(=O)C1C2C(C3N1C=CC4=CC=CC=C34)C(=O)N(C2=O)C5=CC6=CC=CC=C6C=C5
InChI=1SC26H20N2O4c13226(31)232120(2219954716(19)121327(22)23)24(29)28(25(21)30)18111015623817(15)1418h2142023H1H3t2021+22+23m0s1
methyl(8S8aR11aS11bS)10(naphthalen2yl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxylate
MFCD18243097
ZINC000020332715
ZINC20332715

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Available files

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