Vitas-M small molecule compound

methyl (8R,8aR,11aS,11bS)-10-(4-methylphenyl)-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
STK557736
SMILES COC(=O)[C@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1ccc(cc1)C

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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 C23H20N2O4 MW 388.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N2O4/c1-13-7-9-15(10-8-13)25-21(26)17-18(22(25)27)20(23(28)29-2)24-12-11-14-5-3-4-6-16(14)19(17)24/h3-12,17-20H,1-2H3/t17-,18+,19+,20+/m0/s1
InChIKey
BYFSNJWRBJTKPX-MTQWCTHYSA-N
Synonyms
1212493-21-4
(8R8aR11aS11bS)methyl911dioxo10(ptolyl)8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxylate
1212493214
CC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)OC
COC(=O)(C@H)1(C@@H)2C(=O)N(C(=O)(C@@H)2(C@@H)2N1C=Cc1c2cccc1)c1ccc(cc1)C
InChI=1SC23H20N2O4c1137915(10813)2521(26)1718(22(25)27)20(23(28)292)24121114534616(14)19(17)24h3121720H12H3t1718+19+20+m0s1
methyl(8R8aR11aS11bS)10(4methylphenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxylate
MFCD18243026
ZINC000016033495
ZINC16033495

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Available files

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