Vitas-M small molecule compound
methyl (1S,2S,3S)-3-cyano-2-(3,4-dimethoxyphenyl)-1-[(3-nitrophenyl)carbonyl]-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Catalog ID
STK553809
SMILES COC(=O)[C@@]1(C#N)[C@H](c2ccc(c(c2)OC)OC)[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 C30H25N3O7 MW 539.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N3O7/c1-38-23-13-11-19(16-24(23)39-2)26-27(28(34)20-8-6-9-21(15-20)33(36)37)32-22-10-5-4-7-18(22)12-14-25(32)30(26,17-31)29(35)40-3/h4-16,25-27H,1-3H3/t25?,26-,27+,30-/m1/s1InChIKey
RZBCFKXJEQWHAQ-ZGNPHWLPSA-NSynonyms
1014081-24-3(1S2S3S)methyl3cyano2(34dimethoxyphenyl)1(3nitrobenzoyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
1014081243
COC(=O)(C@@)1(C#N)(C@H)(c2ccc(c(c2)OC)OC)(C@H)(N2C1C=Cc1c2cccc1)C(=O)c1cccc(c1)(N+)(=O)(O)
COC1=C(C=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))OC
InChI=1SC30H25N3O7c13823131119(1624(23)392)2627(28(34)2086921(1520)33(36)37)32221054718(22)121425(32)30(261731)29(35)403h4162527H13H3t25?2627+30m1s1
methyl(1S2S3S)3cyano2(34dimethoxyphenyl)1((3nitrophenyl)carbonyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
methyl(1S2S3S)3cyano2(34dimethoxyphenyl)1(3nitrobenzoyl)23adihydro1Hpyrrolo(12a)quinoline3carboxylate
MFCD18242746
ZINC000001311264
ZINC000101025393
Check stock
See real-time availability and sample size for STK553809 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.