Vitas-M small molecule compound
(1S,2R,3aR)-2-(2,4-difluorophenyl)-1-(phenylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK761649
SMILES N#CC1(C#N)[C@H]2C=Cc3c(N2[C@@H]([C@H]1c1ccc(cc1F)F)C(=O)c1ccccc1)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/c28-19-11-12-20(21(29)14-19)24-25(26(33)18-7-2-1-3-8-18)32-22-9-5-4-6-17(22)10-13-23(32)27(24,15-30)16-31/h1-14,23-25H/t23-,24-,25+/m1/s1InChIKey
CAYPLBWXIOMWFB-SDHSZQHLSA-NSynonyms
(1S2R3AR)1BENZOYL2(24DIFLUOROPHENYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
(1S2R3aR)2(24difluorophenyl)1(phenylcarbonyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S3aR)1benzoyl2(24difluorophenyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
1BENZOYL2(24DIFLUOROPHENYL)12DIHYDROPYRROLO(12A)QUINOLINE33(3AH)DICARBONITRILE
C1=CC=C(C=C1)C(=O)C2C(C(C3N2C4=CC=CC=C4C=C3)(C#N)C#N)C5=C(C=C(C=C5)F)F
InChI=1SC27H17F2N3Oc2819111220(21(29)1419)2425(26(33)187213818)3222954617(22)101323(32)27(241530)1631h1142325Ht232425+m1s1
MFCD01925915
N#CC1(C#N)(C@H)2C=Cc3c(N2(C@@H)((C@H)1c1ccc(cc1F)F)C(=O)c1ccccc1)cccc3
N#CC1(C#N)(C@H)2C=Cc3c(N2(C@@H)(C1c1ccc(cc1F)F)C(=O)c1ccccc1)cccc3
ZINC000006446067
ZINC06446067
ZINC6446067
Check stock
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Check stock on Vitas-MAvailable files
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