Vitas-M small molecule compound
methyl 3-[4,7-bis(4-chlorophenyl)-1,3,8-trioxo-5,6-diphenyl-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoate
Catalog ID
STK018450
SMILES COC(=O)c1cccc(c1)N1C(=O)C2C(C1=O)C1(C(=O)C2(c2ccc(cc2)Cl)C(=C1c1ccccc1)c1ccccc1)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 C41H27Cl2NO5 MW 684.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H27Cl2NO5/c1-49-38(47)26-13-8-14-31(23-26)44-36(45)34-35(37(44)46)41(28-17-21-30(43)22-18-28)33(25-11-6-3-7-12-25)32(24-9-4-2-5-10-24)40(34,39(41)48)27-15-19-29(42)20-16-27/h2-23,34-35H,1H3InChIKey
WVPWDBUOZNSFNW-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC(=CC=C1)N2C(=O)C3C(C2=O)C4(C(=C(C3(C4=O)C5=CC=C(C=C5)Cl)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=C(C=C8)Cl
COC(=O)c1cccc(c1)N1C(=O)C2C(C1=O)C1(C(=O)C2(c2ccc(cc2)Cl)C(=C1c1ccccc1)c1ccccc1)c1ccc(cc1)Cl
InChI=1SC41H27Cl2NO5c14938(47)261381431(2326)4436(45)3435(37(44)46)41(28172130(43)221828)33(25116371225)32(2494251024)40(3439(41)48)27151929(42)201627h2233435H1H3
METHYL3(47BIS(4CHLOROPHENYL)138TRIOXO56DIPHENYL133A477AHEXAHYDRO2H47METHANOISOINDOL2YL)BENZOATE
MFCD02277593
STK018450
ZINC000150365184
ZINC000150365194
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.