Vitas-M small molecule compound

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

Catalog ID
STL057337
SMILES CCOc1cc(cc(c1O)Br)C1N(OC2C1C(=O)N(C2=O)c1ccccc1F)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 C25H19BrFN3O7 MW 572.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19BrFN3O7/c1-2-36-19-11-13(10-16(26)22(19)31)21-20-23(37-29(21)14-6-5-7-15(12-14)30(34)35)25(33)28(24(20)32)18-9-4-3-8-17(18)27/h3-12,20-21,23,31H,2H2,1H3
InChIKey
DIGVXCALHFPCKR-UHFFFAOYSA-N
Synonyms
1024420-67-4
1024420674
3(3BROMO5ETHOXY4HYDROXYPHENYL)5(2FLUOROPHENYL)2(3NITROPHENYL)3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOLE46DIONE
3(3bromo5ethoxy4hydroxyphenyl)5(2fluorophenyl)2(3nitrophenyl)dihydro2Hpyrrolo(34d)(12)oxazole46(3H5H)dione
3(3bromo5ethoxy4hydroxyphenyl)5(2fluorophenyl)2(3nitrophenyl)dihydro2Hpyrrolo(34d)isoxazole46(5H6aH)dione
CCOC1=C(C(=CC(=C1)C2C3C(C(=O)N(C3=O)C4=CC=CC=C4F)ON2C5=CC(=CC=C5)(N+)(=O)(O))Br)O
CCOc1cc(cc(c1O)Br)C1N(OC2C1C(=O)N(C2=O)c1ccccc1F)c1cccc(c1)(N+)(=O)(O)
InChI=1SC25H19BrFN3O7c1236191113(1016(26)22(19)31)212023(3729(21)1465715(1214)30(34)35)25(33)28(24(20)32)18943817(18)27h31220212331H2H21H3
MFCD05728558
ZINC000001315425
ZINC000227246936

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Available files

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