Vitas-M small molecule compound
ethyl (1R,2R,3S,3aS)-1-[(3-bromo-4-methoxyphenyl)carbonyl]-2-(4-bromophenyl)-3-cyano-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Catalog ID
STK547797
SMILES CCOC(=O)[C@@]1(C#N)[C@@H](c2ccc(cc2)Br)[C@@H](N2[C@H]1C=Cc1c2cccc1)C(=O)c1ccc(c(c1)Br)OC
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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 C30H24Br2N2O4 MW 636.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24Br2N2O4/c1-3-38-29(36)30(17-33)25-15-11-18-6-4-5-7-23(18)34(25)27(26(30)19-8-12-21(31)13-9-19)28(35)20-10-14-24(37-2)22(32)16-20/h4-16,25-27H,3H2,1-2H3/t25-,26-,27+,30+/m0/s1InChIKey
ZCQMIADSGSJTRV-NVIJWRNBSA-NSynonyms
(1R2R3S3aS)ethyl1(3bromo4methoxybenzoyl)2(4bromophenyl)3cyano1233atetrahydropyrrolo(12a)quinoline3carboxylate
CCOC(=O)(C@@)1(C#N)(C@@H)(c2ccc(cc2)Br)(C@@H)(N2(C@H)1C=Cc1c2cccc1)C(=O)c1ccc(c(c1)Br)OC
CCOC(=O)C1(C2C=CC3=CC=CC=C3N2C(C1C4=CC=C(C=C4)Br)C(=O)C5=CC(=C(C=C5)OC)Br)C#N
ethyl(1R2R3S3aS)1((3bromo4methoxyphenyl)carbonyl)2(4bromophenyl)3cyano1233atetrahydropyrrolo(12a)quinoline3carboxylate
ethyl(1R2R3S3aS)1(3bromo4methoxybenzoyl)2(4bromophenyl)3cyano23adihydro1Hpyrrolo(12a)quinoline3carboxylate
InChI=1SC30H24Br2N2O4c133829(36)30(1733)25151118645723(18)34(25)27(26(30)1981221(31)13919)28(35)20101424(372)22(32)1620h4162527H3H212H3t252627+30+m0s1
MFCD18242372
ZINC000150430535
ZINC150430535
Check stock
See real-time availability and sample size for STK547797 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.