Vitas-M small molecule compound
ethyl 4-[3-(2,4-dichlorophenyl)-5,7-dioxo-3a,4,4a,5,7,7a,8,8a-octahydro-6H-4,8-methano[1,2]oxazolo[4,5-f]isoindol-6-yl]benzoate
Catalog ID
STK782953
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1CC2C2C1C(=NO2)c1ccc(cc1Cl)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 C25H20Cl2N2O5 MW 499.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20Cl2N2O5/c1-2-33-25(32)11-3-6-13(7-4-11)29-23(30)18-15-10-16(19(18)24(29)31)22-20(15)21(28-34-22)14-8-5-12(26)9-17(14)27/h3-9,15-16,18-20,22H,2,10H2,1H3InChIKey
YWELTKFKWZLDPF-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C4CC(C3C2=O)C5C4C(=NO5)C6=C(C=C(C=C6)Cl)Cl
CCOC(=O)c1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)(C@H)1C(C@@H)2(C@H)2(C@@H)1C(=NO2)c1ccc(cc1Cl)Cl
ethyl4((3aS4S4aR7aS8S8aS)3(24dichlorophenyl)57dioxo4a577a88ahexahydro3aH48methanoisoxazolo(45f)isoindol6(4H)yl)benzoate
ethyl4(3(24dichlorophenyl)57dioxo3a44a577a88aoctahydro6H48methano(12)oxazolo(45f)isoindol6yl)benzoate
InChI=1SC25H20Cl2N2O5c123325(32)113613(7411)2923(30)18151016(19(18)24(29)31)2220(15)21(283422)148512(26)917(14)27h391516182022H210H21H3
MFCD06617260
ZINC000217713140
ZINC000245257376
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