Vitas-M small molecule compound
(1S,2R,3aR)-2-(2-fluorophenyl)-1-[(4-fluorophenyl)carbonyl]-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK687615
SMILES N#CC1(C#N)[C@H]2C=Cc3c(N2[C@@H]([C@H]1c1ccccc1F)C(=O)c1ccc(cc1)F)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 C27H17F2N3O MW 437.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H17F2N3O/c28-19-12-9-18(10-13-19)26(33)25-24(20-6-2-3-7-21(20)29)27(15-30,16-31)23-14-11-17-5-1-4-8-22(17)32(23)25/h1-14,23-25H/t23-,24-,25+/m1/s1InChIKey
GJHMSCUNAQONKE-SDHSZQHLSA-NSynonyms
(1S2R3AR)1(4FLUOROBENZOYL)2(2FLUOROPHENYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
(1S2R3aR)2(2fluorophenyl)1((4fluorophenyl)carbonyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
C1=CC=C2C(=C1)C=CC3N2C(C(C3(C#N)C#N)C4=CC=CC=C4F)C(=O)C5=CC=C(C=C5)F
InChI=1SC27H17F2N3Oc281912918(101319)26(33)2524(20623721(20)29)27(15301631)23141117514822(17)32(23)25h1142325Ht232425+m1s1
MFCD18246946
N#CC1(C#N)(C@H)2C=Cc3c(N2(C@@H)((C@H)1c1ccccc1F)C(=O)c1ccc(cc1)F)cccc3
ZINC000012377406
ZINC12377406
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