Vitas-M small molecule compound
4-{3-[4-(cyanomethoxy)phenyl]-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}phenyl acetate
Catalog ID
STK782968
SMILES N#CCOc1ccc(cc1)C1=NOC2C1C1CC2C2C1C(=O)N(C2=O)c1ccc(cc1)OC(=O)C
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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 C26H21N3O6 MW 471.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21N3O6/c1-13(30)34-17-8-4-15(5-9-17)29-25(31)20-18-12-19(21(20)26(29)32)24-22(18)23(28-35-24)14-2-6-16(7-3-14)33-11-10-27/h2-9,18-22,24H,11-12H2,1H3InChIKey
PNHQYAARBFXBNH-UHFFFAOYSA-NSynonyms
4((3aS4S4aR7aS8S8aS)3(4(cyanomethoxy)phenyl)57dioxo4a577a88ahexahydro3aH48methanoisoxazolo(45f)isoindol6(4H)yl)phenylacetate
4(3(4(CYANOMETHOXY)PHENYL)57DIOXO3A44A577A88AOCTAHYDRO6H48METHANO(12)OXAZOLO(45F)ISOINDOL6YL)PHENYLACETATE
CC(=O)OC1=CC=C(C=C1)N2C(=O)C3C4CC(C3C2=O)C5C4C(=NO5)C6=CC=C(C=C6)OCC#N
InChI=1SC26H21N3O6c113(30)34178415(5917)2925(31)20181219(21(20)26(29)32)2422(18)23(283524)142616(7314)33111027h29182224H1112H21H3
MFCD06617274
N#CCOc1ccc(cc1)C1=NO(C@@H)2(C@H)1(C@@H)1C(C@H)2(C@H)2(C@@H)1C(=O)N(C2=O)c1ccc(cc1)OC(=O)C
ZINC000103023671
ZINC000252430879
Check stock
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