Vitas-M small molecule compound

ethyl (1R,2R,3R,3aS)-2-[4-(acetyloxy)-3-methoxyphenyl]-3-cyano-1-(2,2-dimethylpropanoyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate

Catalog ID
STK554346
SMILES CCOC(=O)[C@]1(C#N)[C@@H](c2ccc(c(c2)OC)OC(=O)C)[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 C30H32N2O6 MW 516.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N2O6/c1-7-37-28(35)30(17-31)24-15-13-19-10-8-9-11-21(19)32(24)26(27(34)29(3,4)5)25(30)20-12-14-22(38-18(2)33)23(16-20)36-6/h8-16,24-26H,7H2,1-6H3/t24-,25-,26+,30-/m0/s1
InChIKey
FRFCSJPWINFCPP-MMGVRFDJSA-N
Synonyms
1014101-81-5
(1R2R3R3aS)ethyl2(4acetoxy3methoxyphenyl)3cyano1pivaloyl1233atetrahydropyrrolo(12a)quinoline3carboxylate
1014101815
CCOC(=O)(C@)1(C#N)(C@@H)(c2ccc(c(c2)OC)OC(=O)C)(C@@H)(N2(C@H)1C=Cc1c2cccc1)C(=O)C(C)(C)C
CCOC(=O)C1(C2C=CC3=CC=CC=C3N2C(C1C4=CC(=C(C=C4)OC(=O)C)OC)C(=O)C(C)(C)C)C#N
ethyl(1R2R3R3aS)2(4(acetyloxy)3methoxyphenyl)3cyano1(22dimethylpropanoyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
ethyl(1R2R3R3aS)2(4acetyloxy3methoxyphenyl)3cyano1(22dimethylpropanoyl)23adihydro1Hpyrrolo(12a)quinoline3carboxylate
InChI=1SC30H32N2O6c173728(35)30(1731)2415131910891121(19)32(24)26(27(34)29(34)5)25(30)20121422(3818(2)33)23(1620)366h8162426H7H216H3t242526+30m0s1
MFCD18242792
ZINC000016039197
ZINC16039197

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Available files

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