Vitas-M small molecule compound
methyl (1R,2R,3S)-1-[(4-chlorophenyl)carbonyl]-3-cyano-2-[4-(dimethylamino)phenyl]-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Catalog ID
STK541677
SMILES COC(=O)[C@@]1(C#N)[C@@H](c2ccc(cc2)N(C)C)[C@@H](N2C1C=Cc1c2cccc1)C(=O)c1ccc(cc1)Cl
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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 C30H26ClN3O3 MW 512.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26ClN3O3/c1-33(2)23-15-10-20(11-16-23)26-27(28(35)21-8-13-22(31)14-9-21)34-24-7-5-4-6-19(24)12-17-25(34)30(26,18-32)29(36)37-3/h4-17,25-27H,1-3H3/t25?,26-,27+,30+/m0/s1InChIKey
WNSNAVRIAZQGCH-BMIZCLJLSA-NSynonyms
1014059-78-9(1R2R3S)methyl1(4chlorobenzoyl)3cyano2(4(dimethylamino)phenyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
1014059789
CN(C)C1=CC=C(C=C1)C2C(N3C(C2(C#N)C(=O)OC)C=CC4=CC=CC=C43)C(=O)C5=CC=C(C=C5)Cl
COC(=O)(C@@)1(C#N)(C@@H)(c2ccc(cc2)N(C)C)(C@@H)(N2C1C=Cc1c2cccc1)C(=O)c1ccc(cc1)Cl
InChI=1SC30H26ClN3O3c133(2)23151020(111623)2627(28(35)2181322(31)14921)3424754619(24)121725(34)30(261832)29(36)373h4172527H13H3t25?2627+30+m0s1
methyl(1R2R3S)1((4chlorophenyl)carbonyl)3cyano2(4(dimethylamino)phenyl)1233atetrahydropyrrolo(12a)quinoline3carboxylate
methyl(1R2R3S)1(4chlorobenzoyl)3cyano2(4(dimethylamino)phenyl)23adihydro1Hpyrrolo(12a)quinoline3carboxylate
MFCD18241919
ZINC000008914681
ZINC000009273111
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.