Vitas-M small molecule compound

9-(3-bromo-4-fluorophenyl)-2,3,8,9-tetrahydro[1,4]dioxino[2,3-g]quinolin-7(6H)-one

Catalog ID
STK405579
SMILES O=C1Nc2cc3OCCOc3cc2C(C1)c1ccc(c(c1)Br)F

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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 C17H13BrFNO3 MW 378.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13BrFNO3/c18-12-5-9(1-2-13(12)19)10-7-17(21)20-14-8-16-15(6-11(10)14)22-3-4-23-16/h1-2,5-6,8,10H,3-4,7H2,(H,20,21)
InChIKey
KCEHOMWKUYBDFB-UHFFFAOYSA-N
Synonyms

9(3bromo4fluorophenyl)2389tetrahydro(14)dioxino(23g)quinolin7(6H)one
9(3bromo4fluorophenyl)3689tetrahydro2H(14)dioxino(23g)quinolin7one
9(3BROMO4FLUOROPHENYL)689TRIHYDRO2H3H14DIOXANO(56G)QUINOLIN7ONE
C1COC2=C(O1)C=C3C(CC(=O)NC3=C2)C4=CC(=C(C=C4)F)Br
InChI=1SC17H13BrFNO3c181259(1213(12)19)10717(21)201481615(611(10)14)22342316h1256810H347H2(H2021)
MFCD06007670
ZINC000001067567
ZINC000001067569

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Available files

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