Vitas-M small molecule compound
ethyl 4-[3-(2-chlorophenyl)-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
STK782952
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1CC2C2C1C(=NO2)c1ccccc1Cl
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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 C25H21ClN2O5 MW 464.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN2O5/c1-2-32-25(31)12-7-9-13(10-8-12)28-23(29)18-15-11-16(19(18)24(28)30)22-20(15)21(27-33-22)14-5-3-4-6-17(14)26/h3-10,15-16,18-20,22H,2,11H2,1H3InChIKey
YYTNGXMDWTUKSB-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C4CC(C3C2=O)C5C4C(=NO5)C6=CC=CC=C6Cl
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)c1ccccc1Cl
ethyl4((3aS4S4aR7aS8S8aS)3(2chlorophenyl)57dioxo4a577a88ahexahydro3aH48methanoisoxazolo(45f)isoindol6(4H)yl)benzoate
ETHYL4(3(2CHLOROPHENYL)57DIOXO3A44A577A88AOCTAHYDRO6H48METHANO(12)OXAZOLO(45F)ISOINDOL6YL)BENZOATE
InChI=1SC25H21ClN2O5c123225(31)127913(10812)2823(29)18151116(19(18)24(28)30)2220(15)21(273322)14534617(14)26h3101516182022H211H21H3
MFCD06617259
ZINC000248341436
ZINC000248341439
Check stock
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