Vitas-M small molecule compound

(1S,2S,3aS)-2-(3-fluorophenyl)-1-[(4-fluorophenyl)carbonyl]-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile

Catalog ID
STK525456
SMILES N#CC1(C#N)[C@H](c2cccc(c2)F)[C@H](N2[C@H]1C=Cc1c2cccc1)C(=O)c1ccc(cc1)F

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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/c28-20-11-8-18(9-12-20)26(33)25-24(19-5-3-6-21(29)14-19)27(15-30,16-31)23-13-10-17-4-1-2-7-22(17)32(23)25/h1-14,23-25H/t23-,24+,25-/m0/s1
InChIKey
YBPJLLRZEYXKSF-GVAUOCQISA-N
Synonyms
302925-40-2
(1S2S3aS)1(4fluorobenzoyl)2(3fluorophenyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2S3aS)1(4fluorobenzoyl)2(3fluorophenyl)23adihydro1Hpyrrolo(12a)quinoline33dicarbonitrile
(1S2S3aS)2(3fluorophenyl)1((4fluorophenyl)carbonyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
302925402
C1=CC=C2C(=C1)C=CC3N2C(C(C3(C#N)C#N)C4=CC(=CC=C4)F)C(=O)C5=CC=C(C=C5)F
InChI=1SC27H17F2N3Oc282011818(91220)26(33)2524(1953621(29)1419)27(15301631)23131017412722(17)32(23)25h1142325Ht2324+25m0s1
N#CC1(C#N)(C@H)(c2cccc(c2)F)(C@H)(N2(C@H)1C=Cc1c2cccc1)C(=O)c1ccc(cc1)F
ZINC000008926462
ZINC08926462
ZINC8926462

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Available files

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