Vitas-M small molecule compound
methyl (1R,2R,3R,3aS)-3-cyano-2-(4-methoxyphenyl)-1-(phenylcarbonyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Catalog ID
STK543426
SMILES COc1ccc(cc1)[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 C29H24N2O4 MW 464.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O4/c1-34-22-15-12-20(13-16-22)25-26(27(32)21-9-4-3-5-10-21)31-23-11-7-6-8-19(23)14-17-24(31)29(25,18-30)28(33)35-2/h3-17,24-26H,1-2H3/t24-,25-,26+,29-/m0/s1InChIKey
IYIMWXPIALJBBD-QNVWVOQGSA-NSynonyms
956929-60-5(1R2R3R3aS)methyl1benzoyl3cyano2(4methoxyphenyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
956929605
COC1=CC=C(C=C1)C2C(N3C(C2(C#N)C(=O)OC)C=CC4=CC=CC=C43)C(=O)C5=CC=CC=C5
COc1ccc(cc1)(C@H)1(C@H)(C(=O)c2ccccc2)N2(C@H)((C@)1(C#N)C(=O)OC)C=Cc1c2cccc1
InChI=1SC29H24N2O4c13422151220(131622)2526(27(32)2194351021)31231176819(23)141724(31)29(251830)28(33)352h3172426H12H3t242526+29m0s1
methyl(1R2R3R3aS)1benzoyl3cyano2(4methoxyphenyl)23adihydro1Hpyrrolo(12a)quinoline3carboxylate
methyl(1R2R3R3aS)3cyano2(4methoxyphenyl)1(phenylcarbonyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
MFCD18242085
ZINC000009086523
ZINC09086523
ZINC9086523
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.