Vitas-M small molecule compound

2-{6-[(4aS,9bR)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl]-6-oxohexyl}-1H-isoindole-1,3(2H)-dione

Catalog ID
STK677569
SMILES CN1CC[C@H]2[C@@H](C1)c1cc(C)ccc1N2C(=O)CCCCCN1C(=O)c2c(C1=O)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 C27H31N3O3 MW 445.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O3/c1-18-11-12-23-21(16-18)22-17-28(2)15-13-24(22)30(23)25(31)10-4-3-7-14-29-26(32)19-8-5-6-9-20(19)27(29)33/h5-6,8-9,11-12,16,22,24H,3-4,7,10,13-15,17H2,1-2H3/t22-,24-/m0/s1
InChIKey
OSFQUYGPCXYOTG-UPVQGACJSA-N
Synonyms

2(6((4aS9bR)28dimethyl12344a9bhexahydro5Hpyrido(43b)indol5yl)6oxohexyl)1Hisoindole13(2H)dione
2(6((4AS9BR)28DIMETHYL344A9BTETRAHYDRO1HPYRIDO(43B)INDOL5YL)6OXOHEXYL)ISOINDOLE13DIONE
2(6((4AS9BR)28DIMETHYLPIPERIDINO(43B)INDOLIN5YL)6OXOHEXYL)BENZO(C)AZOLINE13DIONE
CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)C(=O)CCCCCN4C(=O)C5=CC=CC=C5C4=O
CN1CC(C@H)2(C@@H)(C1)c1cc(C)ccc1N2C(=O)CCCCCN1C(=O)c2c(C1=O)cccc2
InChI=1SC27H31N3O3c11811122321(1618)221728(2)151324(22)30(23)25(31)10437142926(32)19856920(19)27(29)33h56891112162224H34710131517H212H3t2224m0s1
MFCD18246871
ZINC000004168055
ZINC4168055

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Available files

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