Vitas-M small molecule compound

4-amino-7'-bromo-5'-fluoro-2'-oxo-1',2',6,7,11,12-hexahydro-10H-spiro[1,4-dioxepino[2,3-g]pyrido[2,1-a]isoquinoline-2,3'-indole]-3-carbonitrile

Catalog ID
STK581719
SMILES N#CC1=C(N)N2CCc3c(C2=CC21C(=O)Nc1c2cc(F)cc1Br)cc1c(c3)OCCCO1

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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 C24H18BrFN4O3 MW 509.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18BrFN4O3/c25-17-8-13(26)7-15-21(17)29-23(31)24(15)10-18-14-9-20-19(32-4-1-5-33-20)6-12(14)2-3-30(18)22(28)16(24)11-27/h6-10H,1-5,28H2,(H,29,31)
InChIKey
YZPFNDYEZIETRT-UHFFFAOYSA-N
Synonyms
879775-75-4
4amino7bromo5fluoro2oxo12671112hexahydro10Hspiro(14dioxepino(23g)pyrido(21a)isoquinoline23indole)3carbonitrile
4amino7bromo5fluoro2oxo7101112tetrahydro6Hspiro((14)dioxepino(23g)pyrido(21a)isoquinoline23indoline)3carbonitrile
879775754
C1COC2=C(C=C3C(=C2)CCN4C3=CC5(C6=CC(=CC(=C6NC5=O)Br)F)C(=C4N)C#N)OC1
InChI=1SC24H18BrFN4O3c2517813(26)71521(17)2923(31)24(15)10181492019(324153320)612(14)2330(18)22(28)16(24)1127h610H1528H2(H2931)
MFCD07639359
ZINC000008995822
ZINC000008995823

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Available files

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