Vitas-M small molecule compound

3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(3-nitrophenyl)-5-(4-nitrophenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione

Catalog ID
STL057070
SMILES COc1cc(cc(c1O)Br)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-])c1cccc(c1)[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 C24H17BrN4O9 MW 585.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17BrN4O9/c1-37-18-10-12(9-17(25)21(18)30)20-19-22(38-27(20)15-3-2-4-16(11-15)29(35)36)24(32)26(23(19)31)13-5-7-14(8-6-13)28(33)34/h2-11,19-20,22,30H,1H3
InChIKey
PMOFEUADORFXTM-UHFFFAOYSA-N
Synonyms
1024447-13-9
1024447139
3(3BROMO4HYDROXY5METHOXYPHENYL)2(3NITROPHENYL)5(4NITROPHENYL)3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOLE46DIONE
3(3bromo4hydroxy5methoxyphenyl)2(3nitrophenyl)5(4nitrophenyl)dihydro2Hpyrrolo(34d)(12)oxazole46(3H5H)dione
3(3bromo4hydroxy5methoxyphenyl)2(3nitrophenyl)5(4nitrophenyl)dihydro2Hpyrrolo(34d)isoxazole46(5H6aH)dione
COC1=C(C(=CC(=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)(N+)(=O)(O))ON2C5=CC(=CC=C5)(N+)(=O)(O))Br)O
COc1cc(cc(c1O)Br)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)(N+)(=O)(O))c1cccc(c1)(N+)(=O)(O)
InChI=1SC24H17BrN4O9c137181012(917(25)21(18)30)201922(3827(20)1532416(1115)29(35)36)24(32)26(23(19)31)135714(8613)28(33)34h21119202230H1H3
MFCD05730792
ZINC000101671811
ZINC000227245714

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Available files

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