Vitas-M small molecule compound
(1S,2R,3aR)-1-acetyl-2-(5-bromo-2-fluorophenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK700686
SMILES N#CC1(C#N)[C@H](c2cc(Br)ccc2F)[C@H](N2[C@@H]1C=Cc1c2cccc1)C(=O)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 C22H15BrFN3O MW 436.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15BrFN3O/c1-13(28)21-20(16-10-15(23)7-8-17(16)24)22(11-25,12-26)19-9-6-14-4-2-3-5-18(14)27(19)21/h2-10,19-21H,1H3/t19-,20-,21-/m1/s1InChIKey
LGADJYVVHLQCHC-NJDAHSKKSA-NSynonyms
303013-71-0(1S2R3aR)1acetyl2(5bromo2fluorophenyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2R3aR)1acetyl2(5bromo2fluorophenyl)23adihydro1Hpyrrolo(12a)quinoline33dicarbonitrile
303013710
CC(=O)C1C(C(C2N1C3=CC=CC=C3C=C2)(C#N)C#N)C4=C(C=CC(=C4)Br)F
InChI=1SC22H15BrFN3Oc113(28)2120(161015(23)7817(16)24)22(11251226)199614423518(14)27(19)21h2101921H1H3t192021m1s1
N#CC1(C#N)(C@H)(c2cc(Br)ccc2F)(C@H)(N2(C@@H)1C=Cc1c2cccc1)C(=O)C
ZINC000008934614
ZINC08934614
ZINC8934614
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