Vitas-M small molecule compound

(1S,2S,3aR)-1-(2,2-dimethylpropanoyl)-2-(3-methylphenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile

Catalog ID
STK757036
SMILES N#CC1(C#N)[C@H](c2cccc(c2)C)[C@H](N2[C@@H]1C=Cc1c2cccc1)C(=O)C(C)(C)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 C26H25N3O MW 395.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O/c1-17-8-7-10-19(14-17)22-23(24(30)25(2,3)4)29-20-11-6-5-9-18(20)12-13-21(29)26(22,15-27)16-28/h5-14,21-23H,1-4H3/t21-,22-,23+/m1/s1
InChIKey
VDKGDFVHPHDGSE-ZLNRFVROSA-N
Synonyms
293319-97-8
(1S2S3aR)1(22dimethylpropanoyl)2(3methylphenyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2S3AR)1(22DIMETHYLPROPANOYL)2(3METHYLPHENYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
(1S2S3aR)1pivaloyl2(mtolyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
293319978
CC1=CC=CC(=C1)C2C(N3C(C2(C#N)C#N)C=CC4=CC=CC=C43)C(=O)C(C)(C)C
InChI=1SC26H25N3Oc117871019(1417)2223(24(30)25(23)4)29201165918(20)121321(29)26(221527)1628h5142123H14H3t212223+m1s1
MFCD13372088
N#CC1(C#N)(C@H)(c2cccc(c2)C)(C@H)(N2(C@@H)1C=Cc1c2cccc1)C(=O)C(C)(C)C
ZINC000001059347
ZINC01059347
ZINC1059347

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Available files

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