Vitas-M small molecule compound

ethyl (1S,2S,3S)-2-(4-bromophenyl)-3-cyano-1-(2,2-dimethylpropanoyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate

Catalog ID
STK554277
SMILES CCOC(=O)[C@@]1(C#N)[C@H](c2ccc(cc2)Br)[C@H](N2C1C=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 C27H27BrN2O3 MW 507.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27BrN2O3/c1-5-33-25(32)27(16-29)21-15-12-17-8-6-7-9-20(17)30(21)23(24(31)26(2,3)4)22(27)18-10-13-19(28)14-11-18/h6-15,21-23H,5H2,1-4H3/t21?,22-,23+,27-/m1/s1
InChIKey
JPGIDCWZSUFWRB-FTLVJZLWSA-N
Synonyms
1014101-15-5
(1S2S3S)ethyl2(4bromophenyl)3cyano1pivaloyl1233atetrahydropyrrolo(12a)quinoline3carboxylate
1014101155
CCOC(=O)(C@@)1(C#N)(C@H)(c2ccc(cc2)Br)(C@H)(N2C1C=Cc1c2cccc1)C(=O)C(C)(C)C
CCOC(=O)C1(C2C=CC3=CC=CC=C3N2C(C1C4=CC=C(C=C4)Br)C(=O)C(C)(C)C)C#N
ethyl(1S2S3S)2(4bromophenyl)3cyano1(22dimethylpropanoyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
ethyl(1S2S3S)2(4bromophenyl)3cyano1(22dimethylpropanoyl)23adihydro1Hpyrrolo(12a)quinoline3carboxylate
InChI=1SC27H27BrN2O3c153325(32)27(1629)21151217867920(17)30(21)23(24(31)26(23)4)22(27)18101319(28)141118h6152123H5H214H3t21?2223+27m1s1
MFCD18242789
ZINC000009462389
ZINC000009462390

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Available files

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