Vitas-M small molecule compound
(1S,2S,3aR)-2-(4-methoxyphenyl)-1-(phenylcarbonyl)-1,2-dihydrobenzo[h]pyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK526691
SMILES N#CC1(C#N)[C@H](c2ccc(cc2)OC)[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 C32H23N3O2 MW 481.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H23N3O2/c1-37-25-16-13-22(14-17-25)28-30(31(36)24-8-3-2-4-9-24)35-27(32(28,19-33)20-34)18-15-23-12-11-21-7-5-6-10-26(21)29(23)35/h2-18,27-28,30H,1H3/t27-,28-,30+/m1/s1InChIKey
UDUQMWHDNDMNRY-QVKOCQLISA-NSynonyms
1212475-04-1(1S2S3aR)1benzoyl2(4methoxyphenyl)12dihydrobenzo(h)pyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2S3aR)1benzoyl2(4methoxyphenyl)23adihydro1Hnaphtho(12e)indolizine33dicarbonitrile
(1S2S3aR)2(4methoxyphenyl)1(phenylcarbonyl)12dihydrobenzo(h)pyrrolo(12a)quinoline33(3aH)dicarbonitrile
1212475041
COC1=CC=C(C=C1)C2C(N3C(C2(C#N)C#N)C=CC4=C3C5=CC=CC=C5C=C4)C(=O)C6=CC=CC=C6
InChI=1SC32H23N3O2c13725161322(141725)2830(31(36)248324924)3527(32(281933)2034)1815231211217561026(21)29(23)35h218272830H1H3t272830+m1s1
N#CC1(C#N)(C@H)(c2ccc(cc2)OC)(C@H)(N2(C@@H)1C=Cc1c2c2ccccc2cc1)C(=O)c1ccccc1
ZINC000008926079
ZINC08926079
ZINC8926079
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.