Vitas-M small molecule compound

2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(4-nitrophenyl)quinazolin-4(3H)-one

Catalog ID
STK830828
SMILES [O-][N+](=O)c1ccc(cc1)n1c(/C=C/c2ccc3c(c2)OCO3)nc2c(c1=O)cccc2

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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 C23H15N3O5 MW 413.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15N3O5/c27-23-18-3-1-2-4-19(18)24-22(25(23)16-7-9-17(10-8-16)26(28)29)12-6-15-5-11-20-21(13-15)31-14-30-20/h1-13H,14H2/b12-6+
InChIKey
OYBFHOUTALXJRV-WUXMJOGZSA-N
Synonyms
37856-47-6
(E)2(2(benzo(d)(13)dioxol5yl)vinyl)3(4nitrophenyl)quinazolin4(3H)one
(O)(N+)(=O)c1ccc(cc1)n1c(C=Cc2ccc3c(c2)OCO3)nc2c(c1=O)cccc2
2((E)2(13BENZODIOXOL5YL)ETHENYL)3(4NITROPHENYL)4(3H)QUINAZOLINONE
2((E)2(13benzodioxol5yl)ethenyl)3(4nitrophenyl)quinazolin4(3H)one
2((E)2(13BENZODIOXOL5YL)ETHENYL)3(4NITROPHENYL)QUINAZOLIN4ONE
2(34(METHYLENEDIOXY)STYRYL)3(4NITROPHENYL)4(3H)QUINAZOLINONE
37856476
C1OC2=C(O1)C=C(C=C2)C=CC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC23H15N3O5c272318312419(18)2422(25(23)167917(10816)26(28)29)126155112021(1315)31143020h113H14H2b126+
MFCD00627581
ZINC000004837569
ZINC04837569
ZINC4837569

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.