Vitas-M small molecule compound
ethyl (1R,2R,3R,3aS)-1-{[4-(acetyloxy)phenyl]carbonyl}-3-cyano-2-(4-methoxyphenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Catalog ID
STK558176
SMILES CCOC(=O)[C@]1(C#N)[C@@H](c2ccc(cc2)OC)[C@@H](N2[C@H]1C=Cc1c2cccc1)C(=O)c1ccc(cc1)OC(=O)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 C32H28N2O6 MW 536.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28N2O6/c1-4-39-31(37)32(19-33)27-18-13-21-7-5-6-8-26(21)34(27)29(28(32)22-9-14-24(38-3)15-10-22)30(36)23-11-16-25(17-12-23)40-20(2)35/h5-18,27-29H,4H2,1-3H3/t27-,28-,29+,32-/m0/s1InChIKey
YFLGISCGAMLWBH-PBLVZDHJSA-NSynonyms
1014083-60-3(1R2R3R3aS)ethyl1(4acetoxybenzoyl)3cyano2(4methoxyphenyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
1014083603
CCOC(=O)(C@)1(C#N)(C@@H)(c2ccc(cc2)OC)(C@@H)(N2(C@H)1C=Cc1c2cccc1)C(=O)c1ccc(cc1)OC(=O)C
CCOC(=O)C1(C2C=CC3=CC=CC=C3N2C(C1C4=CC=C(C=C4)OC)C(=O)C5=CC=C(C=C5)OC(=O)C)C#N
ethyl(1R2R3R3aS)1((4(acetyloxy)phenyl)carbonyl)3cyano2(4methoxyphenyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
ethyl(1R2R3R3aS)1(4acetyloxybenzoyl)3cyano2(4methoxyphenyl)23adihydro1Hpyrrolo(12a)quinoline3carboxylate
InChI=1SC32H28N2O6c143931(37)32(1933)27181321756826(21)34(27)29(28(32)2291424(383)151022)30(36)23111625(171223)4020(2)35h5182729H4H213H3t272829+32m0s1
MFCD18243068
ZINC000101085028
ZINC101085028
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.