Vitas-M small molecule compound
methyl 3-cyano-2-(4-nitrophenyl)-1-(phenylcarbamoyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Catalog ID
STL236619
SMILES COC(=O)C1(C#N)C(c2ccc(cc2)[N+](=O)[O-])C(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 C28H22N4O5 MW 494.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N4O5/c1-37-27(34)28(17-29)23-16-13-18-7-5-6-10-22(18)31(23)25(26(33)30-20-8-3-2-4-9-20)24(28)19-11-14-21(15-12-19)32(35)36/h2-16,23-25H,1H3,(H,30,33)InChIKey
DYIKFHWQXJRIJE-UHFFFAOYSA-NSynonyms
(1R2R3S)methyl3cyano2(4nitrophenyl)1(phenylcarbamoyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
COC(=O)(C@@)1(C#N)(C@@H)(c2ccc(cc2)(N+)(=O)(O))(C@@H)(N2C1C=Cc1c2cccc1)C(=O)Nc1ccccc1
COC(=O)C1(C#N)C(c2ccc(cc2)(N+)(=O)(O))C(N2C1C=Cc1c2cccc1)C(=O)Nc1ccccc1
COC(=O)C1(C2C=CC3=CC=CC=C3N2C(C1C4=CC=C(C=C4)(N+)(=O)(O))C(=O)NC5=CC=CC=C5)C#N
InChI=1SC28H22N4O5c13727(34)28(1729)231613187561022(18)31(23)25(26(33)30208324920)24(28)19111421(151219)32(35)36h2162325H1H3(H3033)
methyl3cyano2(4nitrophenyl)1(phenylcarbamoyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
METHYL3CYANO2(4NITROPHENYL)1(PHENYLCARBAMOYL)23ADIHYDRO1HPYRROLO(12A)QUINOLINE3CARBOXYLATE
MFCD07796143
ZINC000002341416
ZINC000247813486
Check stock
See real-time availability and sample size for STL236619 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.