Vitas-M small molecule compound

(1S,2R,3aR)-2-(2-chlorophenyl)-7-fluoro-1-(phenylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile

Catalog ID
STK754069
SMILES N#CC1(C#N)[C@H]2C=Cc3c(N2[C@@H]([C@H]1c1ccccc1Cl)C(=O)c1ccccc1)ccc(c3)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 C27H17ClFN3O MW 453.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H17ClFN3O/c28-21-9-5-4-8-20(21)24-25(26(33)17-6-2-1-3-7-17)32-22-12-11-19(29)14-18(22)10-13-23(32)27(24,15-30)16-31/h1-14,23-25H/t23-,24-,25+/m1/s1
InChIKey
NVXOKMDYLFXBHI-SDHSZQHLSA-N
Synonyms

(1S2R3AR)1BENZOYL2(2CHLOROPHENYL)7FLUORO23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
(1S2R3AR)2(2CHLOROPHENYL)7FLUORO1(PHENYLCARBONYL)103ADIHYDROPYRROLIDINO(12A)QUINOLINE33DICARBONITRILE
(1S2R3aR)2(2chlorophenyl)7fluoro1(phenylcarbonyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
C1=CC=C(C=C1)C(=O)C2C(C(C3N2C4=C(C=C3)C=C(C=C4)F)(C#N)C#N)C5=CC=CC=C5Cl
InChI=1SC27H17ClFN3Oc2821954820(21)2425(26(33)176213717)3222121119(29)1418(22)101323(32)27(241530)1631h1142325Ht232425+m1s1
MFCD13372041
N#CC1(C#N)(C@H)2C=Cc3c(N2(C@@H)((C@H)1c1ccccc1Cl)C(=O)c1ccccc1)ccc(c3)F
ZINC000008763993
ZINC08763993
ZINC8763993

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Available files

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