Vitas-M small molecule compound
methyl (1R,2R,3S)-2-(4-bromophenyl)-1-[(4-chlorophenyl)carbonyl]-3-cyano-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Catalog ID
STK542721
SMILES COC(=O)[C@@]1(C#N)[C@@H](c2ccc(cc2)Br)[C@@H](N2C1C=Cc1c2cccc1)C(=O)c1ccc(cc1)Cl
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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 C28H20BrClN2O3 MW 547.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20BrClN2O3/c1-35-27(34)28(16-31)23-15-10-17-4-2-3-5-22(17)32(23)25(24(28)18-6-11-20(29)12-7-18)26(33)19-8-13-21(30)14-9-19/h2-15,23-25H,1H3/t23?,24-,25+,28+/m0/s1InChIKey
PTILGJFLCKRMFJ-XKMIWIHUSA-NSynonyms
957030-84-1(1R2R3S)methyl2(4bromophenyl)1(4chlorobenzoyl)3cyano1233atetrahydropyrrolo(12a)quinoline3carboxylate
957030841
COC(=O)(C@@)1(C#N)(C@@H)(c2ccc(cc2)Br)(C@@H)(N2C1C=Cc1c2cccc1)C(=O)c1ccc(cc1)Cl
COC(=O)C1(C2C=CC3=CC=CC=C3N2C(C1C4=CC=C(C=C4)Br)C(=O)C5=CC=C(C=C5)Cl)C#N
InChI=1SC28H20BrClN2O3c13527(34)28(1631)23151017423522(17)32(23)25(24(28)1861120(29)12718)26(33)1981321(30)14919h2152325H1H3t23?2425+28+m0s1
methyl(1R2R3S)2(4bromophenyl)1((4chlorophenyl)carbonyl)3cyano1233atetrahydropyrrolo(12a)quinoline3carboxylate
methyl(1R2R3S)2(4bromophenyl)1(4chlorobenzoyl)3cyano23adihydro1Hpyrrolo(12a)quinoline3carboxylate
MFCD18242020
ZINC000100835378
ZINC000100835383
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.