Vitas-M small molecule compound

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

Catalog ID
STL020361
SMILES N#Cc1c(sc2c1CCCC2)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1C)c1ccco1

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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 C25H21N3O4S MW 459.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O4S/c1-14-7-2-4-9-17(14)28-21(18-10-6-12-31-18)20-22(32-28)24(30)27(23(20)29)25-16(13-26)15-8-3-5-11-19(15)33-25/h2,4,6-7,9-10,12,20-22H,3,5,8,11H2,1H3
InChIKey
DVZRMSGKLFQKGV-UHFFFAOYSA-N
Synonyms
1005089-67-7
1005089677
2(3(furan2yl)2(2methylphenyl)46dioxo3a6adihydro3Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carbonitrile
2(3(furan2yl)2(2methylphenyl)46dioxohexahydro5Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carbonitrile
CC1=CC=CC=C1N2C(C3C(O2)C(=O)N(C3=O)C4=C(C5=C(S4)CCCC5)C#N)C6=CC=CO6
InChI=1SC25H21N3O4Sc114724917(14)2821(18106123118)2022(3228)24(30)27(23(20)29)2516(1326)158351119(15)3325h2467910122022H35811H21H3
MFCD02971215
ZINC000102862225
ZINC000245238054

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Available files

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