Vitas-M small molecule compound

3a-(4-nitrophenyl)-2,3,5-triphenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione

Catalog ID
STK383150
SMILES [O-][N+](=O)c1ccc(cc1)C12C(ON(C1c1ccccc1)c1ccccc1)C(=O)N(C2=O)c1ccccc1

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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 C29H21N3O5 MW 491.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21N3O5/c33-27-26-29(21-16-18-24(19-17-21)32(35)36,28(34)30(27)22-12-6-2-7-13-22)25(20-10-4-1-5-11-20)31(37-26)23-14-8-3-9-15-23/h1-19,25-26H
InChIKey
XRYDYBKKKRWOKG-UHFFFAOYSA-N
Synonyms
1022292-16-5
(O)(N+)(=O)c1ccc(cc1)C12C(ON(C1c1ccccc1)c1ccccc1)C(=O)N(C2=O)c1ccccc1
1022292165
3A(4NITROPHENYL)235TRIPHENYL36ADIHYDROPYRROLO(34D)(12)OXAZOLE46DIONE
3a(4nitrophenyl)235triphenyldihydro2Hpyrrolo(34d)(12)oxazole46(3H5H)dione
3a(4nitrophenyl)235triphenyldihydro2Hpyrrolo(34d)isoxazole46(5H6aH)dione
C1=CC=C(C=C1)C2C3(C(C(=O)N(C3=O)C4=CC=CC=C4)ON2C5=CC=CC=C5)C6=CC=C(C=C6)(N+)(=O)(O)
InChI=1SC29H21N3O5c33272629(21161824(191721)32(35)3628(34)30(27)22126271322)25(20104151120)31(3726)23148391523h1192526H
MFCD03649732
ZINC000013646160
ZINC000239433439

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Available files

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