Vitas-M small molecule compound

methyl (8S,8aR,11aS,11bS)-10-(4-methoxyphenyl)-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
STK555497
SMILES COc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2c2ccccc2C=C1)C(=O)OC

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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 C23H20N2O5 MW 404.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N2O5/c1-29-15-9-7-14(8-10-15)25-21(26)17-18(22(25)27)20(23(28)30-2)24-12-11-13-5-3-4-6-16(13)19(17)24/h3-12,17-20H,1-2H3/t17-,18+,19+,20-/m0/s1
InChIKey
OERSRGYSEPJQEZ-NMLBUPMWSA-N
Synonyms
1212494-58-0
(8S8aR11aS11bS)methyl10(4methoxyphenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxylate
1212494580
COC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)OC
COc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)(N1(C@@H)2c2ccccc2C=C1)C(=O)OC
InChI=1SC23H20N2O5c129159714(81015)2521(26)1718(22(25)27)20(23(28)302)24121113534616(13)19(17)24h3121720H12H3t1718+19+20m0s1
methyl(8S8aR11aS11bS)10(4methoxyphenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxylate
MFCD18242869
ZINC000015974724
ZINC15974724

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Available files

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