Vitas-M small molecule compound
(1S,2R,3aR)-2-(2-methoxyphenyl)-1-(phenylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Catalog ID
STK747012
SMILES COc1ccccc1[C@@H]1[C@@H](C(=O)c2ccccc2)N2[C@@H](C1(C#N)C#N)C=Cc1c2cccc1
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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 C28H21N3O2 MW 431.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N3O2/c1-33-23-14-8-6-12-21(23)25-26(27(32)20-10-3-2-4-11-20)31-22-13-7-5-9-19(22)15-16-24(31)28(25,17-29)18-30/h2-16,24-26H,1H3/t24-,25-,26+/m1/s1InChIKey
XKHXPBRDONDDNX-CYXNTTPDSA-NSynonyms
294203-45-5(1S2R3aR)1benzoyl2(2methoxyphenyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
(1S2R3AR)1BENZOYL2(2METHOXYPHENYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE33DICARBONITRILE
(1S2R3AR)2(2METHOXYPHENYL)1(PHENYLCARBONYL)103ADIHYDROPYRROLIDINO(12A)QUINOLINE33DICARBONITRILE
(1S2R3aR)2(2methoxyphenyl)1(phenylcarbonyl)12dihydropyrrolo(12a)quinoline33(3aH)dicarbonitrile
294203455
COC1=CC=CC=C1C2C(N3C(C2(C#N)C#N)C=CC4=CC=CC=C43)C(=O)C5=CC=CC=C5
COc1ccccc1(C@@H)1(C@@H)(C(=O)c2ccccc2)N2(C@@H)(C1(C#N)C#N)C=Cc1c2cccc1
InChI=1SC28H21N3O2c1332314861221(23)2526(27(32)20103241120)31221375919(22)151624(31)28(251729)1830h2162426H1H3t242526+m1s1
MFCD01414933
ZINC000003880213
ZINC03880213
ZINC3880213
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.