Vitas-M small molecule compound

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

Catalog ID
STL020302
SMILES N#Cc1c(sc2c1CCCC2)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)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 C26H21N3O3S MW 455.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21N3O3S/c27-15-19-18-13-7-8-14-20(18)33-26(19)28-24(30)21-22(16-9-3-1-4-10-16)29(32-23(21)25(28)31)17-11-5-2-6-12-17/h1-6,9-12,21-23H,7-8,13-14H2
InChIKey
XZNBMIFJAYRVKG-UHFFFAOYSA-N
Synonyms
1005053-62-2
1005053622
2(46dioxo23diphenyl3a6adihydro3Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carbonitrile
2(46dioxo23diphenylhexahydro5Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carbonitrile
C1CCC2=C(C1)C(=C(S2)N3C(=O)C4C(N(OC4C3=O)C5=CC=CC=C5)C6=CC=CC=C6)C#N
InChI=1SC26H21N3O3Sc2715191813781420(18)3326(19)2824(30)2122(1693141016)29(3223(21)25(28)31)17115261217h169122123H781314H2
MFCD02970674
ZINC000101688480
ZINC000238950429

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Available files

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