Vitas-M small molecule compound
(8S,8aR,11aS)-10-(3,5-dichlorophenyl)-8-[(4-methoxyphenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STK546646
SMILES COc1ccc(cc1)C(=O)[C@@H]1[C@H]2[C@@H](C3N1C=Cc1c3cccc1)C(=O)N(C2=O)c1cc(Cl)cc(c1)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 C28H20Cl2N2O4 MW 519.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20Cl2N2O4/c1-36-20-8-6-16(7-9-20)26(33)25-23-22(24-21-5-3-2-4-15(21)10-11-31(24)25)27(34)32(28(23)35)19-13-17(29)12-18(30)14-19/h2-14,22-25H,1H3/t22-,23+,24?,25-/m0/s1InChIKey
ZWFFQSFQVXSTAF-NPZNXQLHSA-NSynonyms
957030-93-2(8S8aR11aS)10(35dichlorophenyl)8((4methoxyphenyl)carbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8S8aR11aS)10(35dichlorophenyl)8(4methoxybenzoyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
957030932
COC1=CC=C(C=C1)C(=O)C2C3C(C4N2C=CC5=CC=CC=C45)C(=O)N(C3=O)C6=CC(=CC(=C6)Cl)Cl
COc1ccc(cc1)C(=O)(C@@H)1(C@H)2(C@@H)(C3N1C=Cc1c3cccc1)C(=O)N(C2=O)c1cc(Cl)cc(c1)Cl
InChI=1SC28H20Cl2N2O4c136208616(7920)26(33)252322(2421532415(21)101131(24)25)27(34)32(28(23)35)191317(29)1218(30)1419h2142225H1H3t2223+24?25m0s1
MFCD18242303
ZINC000016037249
ZINC000100848484
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.