Vitas-M small molecule compound

4-[4,6-dioxo-2-phenyl-5-(4-propoxyphenyl)hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzonitrile

Catalog ID
STL006291
SMILES CCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1)C#N

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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 C27H23N3O4 MW 453.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O4/c1-2-16-33-22-14-12-20(13-15-22)29-26(31)23-24(19-10-8-18(17-28)9-11-19)30(34-25(23)27(29)32)21-6-4-3-5-7-21/h3-15,23-25H,2,16H2,1H3
InChIKey
NTZYRNMWDDLBAP-UHFFFAOYSA-N
Synonyms
1022139-98-5
1022139985
4(46DIOXO2PHENYL5(4PROPOXYPHENYL)3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL3YL)BENZONITRILE
4(46dioxo2phenyl5(4propoxyphenyl)hexahydro2Hpyrrolo(34d)(12)oxazol3yl)benzonitrile
4(46DIOXO2PHENYL5(4PROPOXYPHENYL)HEXAHYDRO2HPYRROLO(34D)ISOXAZOL3YL)BENZONITRILE
CCCOC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)C#N
InChI=1SC27H23N3O4c12163322141220(131522)2926(31)2324(1910818(1728)91119)30(3425(23)27(29)32)216435721h3152325H216H21H3
MFCD05685262
ZINC000102761478
ZINC000245311338

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Available files

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