Vitas-M small molecule compound

(1S,2R,3aR)-2-(2-fluorophenyl)-1-(phenylcarbonyl)-1,2-dihydrobenzo[h]pyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile

Catalog ID
STK524505
SMILES N#CC1(C#N)[C@H]2C=Cc3c(N2[C@@H]([C@H]1c1ccccc1F)C(=O)c1ccccc1)c1ccccc1cc3

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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 C31H20FN3O MW 469.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H20FN3O/c32-25-13-7-6-12-24(25)27-29(30(36)22-9-2-1-3-10-22)35-26(31(27,18-33)19-34)17-16-21-15-14-20-8-4-5-11-23(20)28(21)35/h1-17,26-27,29H/t26-,27-,29+/m1/s1
InChIKey
HYTWHBBKYZBVSF-QQJNOOCOSA-N
Synonyms
302925-38-8
(1S2R3aR)1benzoyl2(2fluorophenyl)12dihydrobenzo(h)pyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2R3aR)1benzoyl2(2fluorophenyl)23adihydro1Hnaphtho(12e)indolizine33dicarbonitrile
(1S2R3aR)2(2fluorophenyl)1(phenylcarbonyl)12dihydrobenzo(h)pyrrolo(12a)quinoline33(3aH)dicarbonitrile
302925388
C1=CC=C(C=C1)C(=O)C2C(C(C3N2C4=C(C=C3)C=CC5=CC=CC=C54)(C#N)C#N)C6=CC=CC=C6F
InChI=1SC31H20FN3Oc322513761224(25)2729(30(36)2292131022)3526(31(271833)1934)1716211514208451123(20)28(21)35h117262729Ht262729+m1s1
N#CC1(C#N)(C@H)2C=Cc3c(N2(C@@H)((C@H)1c1ccccc1F)C(=O)c1ccccc1)c1ccccc1cc3
ZINC000008926461
ZINC08926461
ZINC8926461

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.