Vitas-M small molecule compound
methyl (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
STK548037
SMILES COC(=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 C29H22Br2N2O4 MW 622.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22Br2N2O4/c1-36-23-13-9-19(15-21(23)31)27(34)26-25(18-7-11-20(30)12-8-18)29(16-32,28(35)37-2)24-14-10-17-5-3-4-6-22(17)33(24)26/h3-15,24-26H,1-2H3/t24-,25-,26+,29+/m0/s1InChIKey
LJSMEECSWXFREB-QPPCPWFDSA-NSynonyms
(1R2R3S3aS)methyl1(3bromo4methoxybenzoyl)2(4bromophenyl)3cyano1233atetrahydropyrrolo(12a)quinoline3carboxylate
COC(=O)(C@@)1(C#N)(C@@H)(c2ccc(cc2)Br)(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=C(C=C5)Br)Br
InChI=1SC29H22Br2N2O4c1362313919(1521(23)31)27(34)2625(1871120(30)12818)29(163228(35)372)24141017534622(17)33(24)26h3152426H12H3t242526+29+m0s1
methyl(1R2R3S3aS)1((3bromo4methoxyphenyl)carbonyl)2(4bromophenyl)3cyano1233atetrahydropyrrolo(12a)quinoline3carboxylate
methyl(1R2R3S3aS)1(3bromo4methoxybenzoyl)2(4bromophenyl)3cyano23adihydro1Hpyrrolo(12a)quinoline3carboxylate
MFCD18242392
ZINC000150430638
ZINC150430638
Check stock
See real-time availability and sample size for STK548037 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.