Vitas-M small molecule compound

2-[3-(4-nitrophenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Catalog ID
STL020319
SMILES N#Cc1c(sc2c1CCCC2)N1C(=O)C2C(C1=O)ON(C2c1ccc(cc1)[N+](=O)[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 C26H20N4O5S MW 500.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N4O5S/c27-14-19-18-8-4-5-9-20(18)36-26(19)28-24(31)21-22(15-10-12-17(13-11-15)30(33)34)29(35-23(21)25(28)32)16-6-2-1-3-7-16/h1-3,6-7,10-13,21-23H,4-5,8-9H2
InChIKey
OSELEOGXZVQBFU-UHFFFAOYSA-N
Synonyms

2(3(4nitrophenyl)46dioxo2phenyl3a6adihydro3Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carbonitrile
2(3(4nitrophenyl)46dioxo2phenylhexahydro5Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carbonitrile
C1CCC2=C(C1)C(=C(S2)N3C(=O)C4C(N(OC4C3=O)C5=CC=CC=C5)C6=CC=C(C=C6)(N+)(=O)(O))C#N
InChI=1SC26H20N4O5Sc27141918845920(18)3626(19)2824(31)2122(15101217(131115)30(33)34)29(3523(21)25(28)32)166213716h136710132123H4589H2
MFCD02970746
N#Cc1c(sc2c1CCCC2)N1C(=O)C2C(C1=O)ON(C2c1ccc(cc1)(N+)(=O)(O))c1ccccc1
ZINC000008741583
ZINC000169688914

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Available files

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