Vitas-M small molecule compound

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

Catalog ID
STL052133
SMILES COc1ccc(cc1Br)C1N(OC2C1C(=O)N(C2=O)Cc1ccccc1)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 C25H20BrN3O6 MW 538.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20BrN3O6/c1-34-20-11-10-16(12-19(20)26)22-21-23(35-28(22)17-8-5-9-18(13-17)29(32)33)25(31)27(24(21)30)14-15-6-3-2-4-7-15/h2-13,21-23H,14H2,1H3
InChIKey
ZVLJIPOFYVHUDN-UHFFFAOYSA-N
Synonyms
1024083-76-8
1024083768
5BENZYL3(3BROMO4METHOXYPHENYL)2(3NITROPHENYL)3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOLE46DIONE
5benzyl3(3bromo4methoxyphenyl)2(3nitrophenyl)dihydro2Hpyrrolo(34d)(12)oxazole46(3H5H)dione
5benzyl3(3bromo4methoxyphenyl)2(3nitrophenyl)dihydro2Hpyrrolo(34d)isoxazole46(5H6aH)dione
COC1=C(C=C(C=C1)C2C3C(C(=O)N(C3=O)CC4=CC=CC=C4)ON2C5=CC(=CC=C5)(N+)(=O)(O))Br
COc1ccc(cc1Br)C1N(OC2C1C(=O)N(C2=O)Cc1ccccc1)c1cccc(c1)(N+)(=O)(O)
InChI=1SC25H20BrN3O6c13420111016(1219(20)26)222123(3528(22)1785918(1317)29(32)33)25(31)27(24(21)30)14156324715h2132123H14H21H3
MFCD05679029
ZINC000001316385
ZINC000227235156

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Available files

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