Vitas-M small molecule compound

methyl (8S,8aR,11aS,11bS)-10-(2-chlorophenyl)-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
STK555844
SMILES COC(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1Cl)cccc3

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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 C22H17ClN2O4 MW 408.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClN2O4/c1-29-22(28)19-17-16(18-13-7-3-2-6-12(13)10-11-24(18)19)20(26)25(21(17)27)15-9-5-4-8-14(15)23/h2-11,16-19H,1H3/t16-,17+,18+,19-/m0/s1
InChIKey
BXXHLOUIOGUWCB-MANSERQUSA-N
Synonyms
1212459-94-3
(8S8aR11aS11bS)methyl10(2chlorophenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxylate
1212459943
COC(=O)(C@H)1N2C=Cc3c((C@@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccccc1Cl)cccc3
COC(=O)C1C2C(C3N1C=CC4=CC=CC=C34)C(=O)N(C2=O)C5=CC=CC=C5Cl
InChI=1SC22H17ClN2O4c12922(28)191716(1813732612(13)101124(18)19)20(26)25(21(17)27)15954814(15)23h2111619H1H3t1617+18+19m0s1
methyl(8S8aR11aS11bS)10(2chlorophenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxylate
MFCD18242894
ZINC000015974810
ZINC15974810

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Available files

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