Vitas-M small molecule compound
methyl (1S,2S,3R)-2-(4-bromophenyl)-3-cyano-1-[(3-nitrophenyl)carbonyl]-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Catalog ID
STL042804
SMILES COC(=O)[C@]1(C#N)[C@H](c2ccc(cc2)Br)[C@H](N2C1C=Cc1c2cccc1)C(=O)c1cccc(c1)[N+](=O)[O-]
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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 C28H20BrN3O5 MW 558.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20BrN3O5/c1-37-27(34)28(16-30)23-14-11-17-5-2-3-8-22(17)31(23)25(24(28)18-9-12-20(29)13-10-18)26(33)19-6-4-7-21(15-19)32(35)36/h2-15,23-25H,1H3/t23?,24-,25+,28+/m1/s1InChIKey
DBTCJPGIXWHYCO-CIXUIWAISA-NSynonyms
(1S2S3R)methyl2(4bromophenyl)3cyano1(3nitrobenzoyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
COC(=O)(C@)1(C#N)(C@H)(c2ccc(cc2)Br)(C@H)(N2C1C=Cc1c2cccc1)C(=O)c1cccc(c1)(N+)(=O)(O)
COC(=O)C1(C2C=CC3=CC=CC=C3N2C(C1C4=CC=C(C=C4)Br)C(=O)C5=CC(=CC=C5)(N+)(=O)(O))C#N
InChI=1SC28H20BrN3O5c13727(34)28(1630)23141117523822(17)31(23)25(24(28)1891220(29)131018)26(33)1964721(1519)32(35)36h2152325H1H3t23?2425+28+m1s1
methyl(1S2S3R)2(4bromophenyl)3cyano1((3nitrophenyl)carbonyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
methyl(1S2S3R)2(4bromophenyl)3cyano1(3nitrobenzoyl)23adihydro1Hpyrrolo(12a)quinoline3carboxylate
MFCD18248188
ZINC000102870998
ZINC000102871003
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.