Vitas-M small molecule compound

methyl (1R,2R,3R,3aS)-3-cyano-1-(2,2-dimethylpropanoyl)-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate

Catalog ID
STK553625
SMILES COC(=O)[C@]1(C#N)[C@@H](c2ccccc2)[C@@H](N2[C@H]1C=Cc1c2cccc1)C(=O)C(C)(C)C

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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 C26H26N2O3 MW 414.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O3/c1-25(2,3)23(29)22-21(18-11-6-5-7-12-18)26(16-27,24(30)31-4)20-15-14-17-10-8-9-13-19(17)28(20)22/h5-15,20-22H,1-4H3/t20-,21-,22+,26-/m0/s1
InChIKey
JFQAIFJOVLOBRN-IFOBJOEFSA-N
Synonyms
1212479-77-0
(1R2R3R3aS)methyl3cyano2phenyl1pivaloyl1233atetrahydropyrrolo(12a)quinoline3carboxylate
1212479770
CC(C)(C)C(=O)C1C(C(C2N1C3=CC=CC=C3C=C2)(C#N)C(=O)OC)C4=CC=CC=C4
COC(=O)(C@)1(C#N)(C@@H)(c2ccccc2)(C@@H)(N2(C@H)1C=Cc1c2cccc1)C(=O)C(C)(C)C
InChI=1SC26H26N2O3c125(23)23(29)2221(18116571218)26(162724(30)314)2015141710891319(17)28(20)22h5152022H14H3t202122+26m0s1
methyl(1R2R3R3aS)3cyano1(22dimethylpropanoyl)2phenyl1233atetrahydropyrrolo(12a)quinoline3carboxylate
METHYL(1R2R3R3AS)3CYANO1(22DIMETHYLPROPANOYL)2PHENYL23ADIHYDRO1HPYRROLO(12A)QUINOLINE3CARBOXYLATE
MFCD18242730
ZINC000005091681
ZINC05091681
ZINC5091681

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Available files

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