Vitas-M small molecule compound
(3aR,6aS)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Catalog ID
STK541494
SMILES O=C1[C@H]2ON=C([C@H]2C(=O)N1c1ccc2c(c1)OCCO2)c1ccc(cc1)[N+](=O)[O-]
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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 C19H13N3O7 MW 395.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13N3O7/c23-18-15-16(10-1-3-11(4-2-10)22(25)26)20-29-17(15)19(24)21(18)12-5-6-13-14(9-12)28-8-7-27-13/h1-6,9,15,17H,7-8H2/t15-,17+/m1/s1InChIKey
RJKPZJOBQKDYHJ-WBVHZDCISA-NSynonyms
1212347-07-3(3AR6AS)5(23DIHYDRO14BENZODIOXIN6YL)3(4NITROPHENYL)3A6ADIHYDROPYRROLO(34D)(12)OXAZOLE46DIONE
(3aR6aS)5(23dihydro14benzodioxin6yl)3(4nitrophenyl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
(3aR6aS)5(23dihydrobenzo(b)(14)dioxin6yl)3(4nitrophenyl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
1212347073
C1COC2=C(O1)C=CC(=C2)N3C(=O)C4C(C3=O)ON=C4C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC19H13N3O7c23181516(101311(4210)22(25)26)202917(15)19(24)21(18)12561314(912)28872713h1691517H78H2t1517+m1s1
MFCD18241908
O=C1(C@H)2ON=C((C@H)2C(=O)N1c1ccc2c(c1)OCCO2)c1ccc(cc1)(N+)(=O)(O)
ZINC000100846227
ZINC100846227
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.