Vitas-M small molecule compound
(1S,2S,3aR)-2-(3,4-dichlorophenyl)-1-(phenylcarbonyl)-1,2-dihydrobenzo[h]pyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK525669
SMILES N#CC1(C#N)[C@H](c2ccc(c(c2)Cl)Cl)[C@H](N2[C@@H]1C=Cc1c2c2ccccc2cc1)C(=O)c1ccccc1
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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 C31H19Cl2N3O MW 520.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H19Cl2N3O/c32-24-14-12-22(16-25(24)33)27-29(30(37)21-7-2-1-3-8-21)36-26(31(27,17-34)18-35)15-13-20-11-10-19-6-4-5-9-23(19)28(20)36/h1-16,26-27,29H/t26-,27-,29+/m1/s1InChIKey
KUDHYSZIQQFDSC-QQJNOOCOSA-NSynonyms
302925-44-6(1S2S3aR)1benzoyl2(34dichlorophenyl)12dihydrobenzo(h)pyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2S3aR)1benzoyl2(34dichlorophenyl)23adihydro1Hnaphtho(12e)indolizine33dicarbonitrile
(1S2S3aR)2(34dichlorophenyl)1(phenylcarbonyl)12dihydrobenzo(h)pyrrolo(12a)quinoline33(3aH)dicarbonitrile
302925446
C1=CC=C(C=C1)C(=O)C2C(C(C3N2C4=C(C=C3)C=CC5=CC=CC=C54)(C#N)C#N)C6=CC(=C(C=C6)Cl)Cl
InChI=1SC31H19Cl2N3Oc3224141222(1625(24)33)2729(30(37)217213821)3626(31(271734)1835)151320111019645923(19)28(20)36h116262729Ht262729+m1s1
N#CC1(C#N)(C@H)(c2ccc(c(c2)Cl)Cl)(C@H)(N2(C@@H)1C=Cc1c2c2ccccc2cc1)C(=O)c1ccccc1
ZINC000100677429
ZINC100677429
Check stock
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Check stock on Vitas-MAvailable files
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