Vitas-M small molecule compound
methyl (1S,2S,3S)-3-cyano-2-(4-methoxyphenyl)-1-[(3-nitrophenyl)carbonyl]-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Catalog ID
STK553942
SMILES COc1ccc(cc1)[C@@H]1[C@@H](C(=O)c2cccc(c2)[N+](=O)[O-])N2C([C@@]1(C#N)C(=O)OC)C=Cc1c2cccc1
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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 C29H23N3O6 MW 509.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N3O6/c1-37-22-13-10-19(11-14-22)25-26(27(33)20-7-5-8-21(16-20)32(35)36)31-23-9-4-3-6-18(23)12-15-24(31)29(25,17-30)28(34)38-2/h3-16,24-26H,1-2H3/t24?,25-,26+,29-/m1/s1InChIKey
HOGUAOHMZSOHRS-CIIYXKIESA-NSynonyms
1014081-91-4(1S2S3S)methyl3cyano2(4methoxyphenyl)1(3nitrobenzoyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
1014081914
COC1=CC=C(C=C1)C2C(N3C(C2(C#N)C(=O)OC)C=CC4=CC=CC=C43)C(=O)C5=CC(=CC=C5)(N+)(=O)(O)
COc1ccc(cc1)(C@@H)1(C@@H)(C(=O)c2cccc(c2)(N+)(=O)(O))N2C((C@@)1(C#N)C(=O)OC)C=Cc1c2cccc1
InChI=1SC29H23N3O6c13722131019(111422)2526(27(33)2075821(1620)32(35)36)3123943618(23)121524(31)29(251730)28(34)382h3162426H12H3t24?2526+29m1s1
methyl(1S2S3S)3cyano2(4methoxyphenyl)1((3nitrophenyl)carbonyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
methyl(1S2S3S)3cyano2(4methoxyphenyl)1(3nitrobenzoyl)23adihydro1Hpyrrolo(12a)quinoline3carboxylate
MFCD18242757
ZINC000009313414
ZINC000009461897
Check stock
See real-time availability and sample size for STK553942 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.