Vitas-M small molecule compound
(1S,2R,3aR)-2-(4-bromo-2-fluorophenyl)-1-(2,2-dimethylpropanoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STL170518
SMILES N#CC1(C#N)[C@H]2C=Cc3c(N2[C@@H]([C@H]1c1ccc(cc1F)Br)C(=O)C(C)(C)C)cccc3
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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 C25H21BrFN3O MW 478.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21BrFN3O/c1-24(2,3)23(31)22-21(17-10-9-16(26)12-18(17)27)25(13-28,14-29)20-11-8-15-6-4-5-7-19(15)30(20)22/h4-12,20-22H,1-3H3/t20-,21-,22+/m1/s1InChIKey
QNGWCMOPCOAGFS-VSKRKVRLSA-NSynonyms
500102-34-1(1S2R3aR)2(4bromo2fluorophenyl)1(22dimethylpropanoyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2R3AR)2(4BROMO2FLUOROPHENYL)1(22DIMETHYLPROPANOYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
2(4BROMO2FLUOROPHENYL)1(22DIMETHYLPROPANOYL)12DIHYDROPYRROLO(12A)QUINOLINE33(3AH)DICARBONITRILE
500102341
CC(C)(C)C(=O)C1C(C(C2N1C3=CC=CC=C3C=C2)(C#N)C#N)C4=C(C=C(C=C4)Br)F
InChI=1SC25H21BrFN3Oc124(23)23(31)2221(1710916(26)1218(17)27)25(13281429)2011815645719(15)30(20)22h4122022H13H3t202122+m1s1
MFCD01935811
N#CC1(C#N)(C@H)2C=Cc3c(N2(C@@H)((C@H)1c1ccc(cc1F)Br)C(=O)C(C)(C)C)cccc3
ZINC000008448651
ZINC08448651
ZINC8448651
Check stock
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Check stock on Vitas-MAvailable files
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