Vitas-M small molecule compound
3-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-(4-butoxyphenyl)-2-(3-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Catalog ID
STK569731
SMILES CCCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1cccc(c1)[N+](=O)[O-])c1cc(Br)c(c(c1)OC)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 C28H26BrN3O8 MW 612.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26BrN3O8/c1-3-4-12-39-20-10-8-17(9-11-20)30-27(34)23-24(16-13-21(29)25(33)22(14-16)38-2)31(40-26(23)28(30)35)18-6-5-7-19(15-18)32(36)37/h5-11,13-15,23-24,26,33H,3-4,12H2,1-2H3InChIKey
DUUSPZHFETZJQF-UHFFFAOYSA-NSynonyms
1024348-77-31024348773
3(3BROMO4HYDROXY5METHOXYPHENYL)5(4BUTOXYPHENYL)2(3NITROPHENYL)3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOLE46DIONE
3(3bromo4hydroxy5methoxyphenyl)5(4butoxyphenyl)2(3nitrophenyl)dihydro2Hpyrrolo(34d)(12)oxazole46(3H5H)dione
3(3bromo4hydroxy5methoxyphenyl)5(4butoxyphenyl)2(3nitrophenyl)dihydro2Hpyrrolo(34d)isoxazole46(5H6aH)dione
CCCCOC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC(=CC=C4)(N+)(=O)(O))C5=CC(=C(C(=C5)Br)O)OC
CCCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1cccc(c1)(N+)(=O)(O))c1cc(Br)c(c(c1)OC)O
InChI=1SC28H26BrN3O8c13412392010817(91120)3027(34)2324(161321(29)25(33)22(1416)382)31(4026(23)28(30)35)1865719(1518)32(36)37h511131523242633H3412H212H3
MFCD05732030
ZINC000105796332
ZINC000245325277
Check stock
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Check stock on Vitas-MAvailable files
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