Vitas-M small molecule compound
methyl (1R,2R,3S,3aS)-1-[(3-bromo-4-methoxyphenyl)carbonyl]-3-cyano-2-(furan-2-yl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Catalog ID
STK546814
SMILES COC(=O)[C@@]1(C#N)[C@@H](c2ccco2)[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 C27H21BrN2O5 MW 533.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21BrN2O5/c1-33-20-11-9-17(14-18(20)28)25(31)24-23(21-8-5-13-35-21)27(15-29,26(32)34-2)22-12-10-16-6-3-4-7-19(16)30(22)24/h3-14,22-24H,1-2H3/t22-,23-,24+,27+/m0/s1InChIKey
VCPSSAIWVRCZSD-QRXMYIDTSA-NSynonyms
956929-66-1(1R2R3S3aS)methyl1(3bromo4methoxybenzoyl)3cyano2(furan2yl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
956929661
COC(=O)(C@@)1(C#N)(C@@H)(c2ccco2)(C@@H)(N2(C@H)1C=Cc1c2cccc1)C(=O)c1ccc(c(c1)Br)OC
COC1=C(C=C(C=C1)C(=O)C2C(C(C3N2C4=CC=CC=C4C=C3)(C#N)C(=O)OC)C5=CC=CO5)Br
InChI=1SC27H21BrN2O5c1332011917(1418(20)28)25(31)2423(2185133521)27(152926(32)342)22121016634719(16)30(22)24h3142224H12H3t222324+27+m0s1
methyl(1R2R3S3aS)1((3bromo4methoxyphenyl)carbonyl)3cyano2(furan2yl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
methyl(1R2R3S3aS)1(3bromo4methoxybenzoyl)3cyano2(furan2yl)23adihydro1Hpyrrolo(12a)quinoline3carboxylate
MFCD18242311
ZINC000100835257
ZINC100835257
Check stock
See real-time availability and sample size for STK546814 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.