Vitas-M small molecule compound
(1S,2S,3aR)-2-(4-bromophenyl)-1-(2,2-dimethylpropanoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK755000
SMILES N#CC1(C#N)[C@H](c2ccc(cc2)Br)[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 C25H22BrN3O MW 460.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22BrN3O/c1-24(2,3)23(30)22-21(17-8-11-18(26)12-9-17)25(14-27,15-28)20-13-10-16-6-4-5-7-19(16)29(20)22/h4-13,20-22H,1-3H3/t20-,21-,22+/m1/s1InChIKey
BAYOBGOREWWFFN-VSKRKVRLSA-NSynonyms
293313-07-2(1S2S3AR)1(22DIMETHYLPROPANOYL)2(4BROMOPHENYL)103ADIHYDROPYRROLIDINO(12A)QUINOLINE33DICARBONITRILE
(1S2S3aR)2(4bromophenyl)1(22dimethylpropanoyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2S3AR)2(4BROMOPHENYL)1(22DIMETHYLPROPANOYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
(1S2S3aR)2(4bromophenyl)1pivaloyl12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
293313072
CC(C)(C)C(=O)C1C(C(C2N1C3=CC=CC=C3C=C2)(C#N)C#N)C4=CC=C(C=C4)Br
InChI=1SC25H22BrN3Oc124(23)23(30)2221(1781118(26)12917)25(14271528)20131016645719(16)29(20)22h4132022H13H3t202122+m1s1
MFCD13372083
N#CC1(C#N)(C@H)(c2ccc(cc2)Br)(C@H)(N2(C@@H)1C=Cc1c2cccc1)C(=O)C(C)(C)C
ZINC000008783650
ZINC08783650
ZINC8783650
Check stock
See real-time availability and sample size for STK755000 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.