Vitas-M small molecule compound
ethyl (1R,2R,3R,3aS)-1-{[4-(acetyloxy)phenyl]carbonyl}-3-cyano-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Catalog ID
STK556521
SMILES CCOC(=O)[C@]1(C#N)[C@@H](c2ccccc2)[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 C31H26N2O5 MW 506.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N2O5/c1-3-37-30(36)31(19-32)26-18-15-21-9-7-8-12-25(21)33(26)28(27(31)22-10-5-4-6-11-22)29(35)23-13-16-24(17-14-23)38-20(2)34/h4-18,26-28H,3H2,1-2H3/t26-,27-,28+,31-/m0/s1InChIKey
LHCFSPGTEMLZMA-JGLCYXNFSA-NSynonyms
1013792-57-8(1R2R3R3aS)ethyl1(4acetoxybenzoyl)3cyano2phenyl1233atetrahydropyrrolo(12a)quinoline3carboxylate
1013792578
CCOC(=O)(C@)1(C#N)(C@@H)(c2ccccc2)(C@@H)(N2(C@H)1C=Cc1c2cccc1)C(=O)c1ccc(cc1)OC(=O)C
CCOC(=O)C1(C2C=CC3=CC=CC=C3N2C(C1C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)OC(=O)C)C#N
ethyl(1R2R3R3aS)1((4(acetyloxy)phenyl)carbonyl)3cyano2phenyl1233atetrahydropyrrolo(12a)quinoline3carboxylate
ethyl(1R2R3R3aS)1(4acetyloxybenzoyl)3cyano2phenyl23adihydro1Hpyrrolo(12a)quinoline3carboxylate
InChI=1SC31H26N2O5c133730(36)31(1932)261815219781225(21)33(26)28(27(31)22105461122)29(35)23131624(171423)3820(2)34h4182628H3H212H3t262728+31m0s1
MFCD18242950
ZINC000015975007
ZINC15975007
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.