Vitas-M small molecule compound
methyl (1R,2R,3S)-2-(4-bromophenyl)-3-cyano-1-(phenylcarbamoyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Catalog ID
STK542055
SMILES COC(=O)[C@@]1(C#N)[C@@H](c2ccc(cc2)Br)[C@@H](N2C1C=Cc1c2cccc1)C(=O)Nc1ccccc1
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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 C28H22BrN3O3 MW 528.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22BrN3O3/c1-35-27(34)28(17-30)23-16-13-18-7-5-6-10-22(18)32(23)25(24(28)19-11-14-20(29)15-12-19)26(33)31-21-8-3-2-4-9-21/h2-16,23-25H,1H3,(H,31,33)/t23?,24-,25+,28+/m0/s1InChIKey
BPPPYDYBRRJEGA-XKMIWIHUSA-NSynonyms
1014080-93-3(1R2R3S)methyl2(4bromophenyl)3cyano1(phenylcarbamoyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
1014080933
COC(=O)(C@@)1(C#N)(C@@H)(c2ccc(cc2)Br)(C@@H)(N2C1C=Cc1c2cccc1)C(=O)Nc1ccccc1
COC(=O)C1(C2C=CC3=CC=CC=C3N2C(C1C4=CC=C(C=C4)Br)C(=O)NC5=CC=CC=C5)C#N
InChI=1SC28H22BrN3O3c13527(34)28(1730)231613187561022(18)32(23)25(24(28)19111420(29)151219)26(33)31218324921h2162325H1H3(H3133)t23?2425+28+m0s1
methyl(1R2R3S)2(4bromophenyl)3cyano1(phenylcarbamoyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
methyl(1R2R3S)2(4bromophenyl)3cyano1(phenylcarbamoyl)23adihydro1Hpyrrolo(12a)quinoline3carboxylate
MFCD18241958
ZINC000100878817
ZINC000100878822
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.