Vitas-M small molecule compound
methyl (1R,2R,3R,3aS)-3-cyano-2-(3,4-dimethoxyphenyl)-1-(phenylcarbonyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Catalog ID
STK543814
SMILES COc1cc(ccc1OC)[C@H]1[C@H](C(=O)c2ccccc2)N2[C@H]([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 C30H26N2O5 MW 494.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O5/c1-35-23-15-13-21(17-24(23)36-2)26-27(28(33)20-10-5-4-6-11-20)32-22-12-8-7-9-19(22)14-16-25(32)30(26,18-31)29(34)37-3/h4-17,25-27H,1-3H3/t25-,26-,27+,30-/m0/s1InChIKey
NERHIESMKSMXKD-MHTMXISKSA-NSynonyms
956982-42-6(1R2R3R3aS)methyl1benzoyl3cyano2(34dimethoxyphenyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
956982426
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)OC
COc1cc(ccc1OC)(C@H)1(C@H)(C(=O)c2ccccc2)N2(C@H)((C@)1(C#N)C(=O)OC)C=Cc1c2cccc1
InChI=1SC30H26N2O5c13523151321(1724(23)362)2627(28(33)20105461120)32221287919(22)141625(32)30(261831)29(34)373h4172527H13H3t252627+30m0s1
methyl(1R2R3R3aS)1benzoyl3cyano2(34dimethoxyphenyl)23adihydro1Hpyrrolo(12a)quinoline3carboxylate
methyl(1R2R3R3aS)3cyano2(34dimethoxyphenyl)1(phenylcarbonyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
MFCD18242104
ZINC000009086499
ZINC09086499
ZINC9086499
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.