Vitas-M small molecule compound
2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2-nitrophenyl)quinazolin-4(3H)-one
Catalog ID
STL304967
SMILES O=c1c2ccccc2nc(n1c1ccccc1[N+](=O)[O-])/C=C/c1ccc2c(c1)OCO2
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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/c27-23-16-5-1-2-6-17(16)24-22(25(23)18-7-3-4-8-19(18)26(28)29)12-10-15-9-11-20-21(13-15)31-14-30-20/h1-13H,14H2/b12-10+InChIKey
DWIMETYAEAWWIB-ZRDIBKRKSA-NSynonyms
372091-93-5(E)2(2(benzo(d)(13)dioxol5yl)vinyl)3(2nitrophenyl)quinazolin4(3H)one
2((E)2(13benzodioxol5yl)ethenyl)3(2nitrophenyl)quinazolin4(3H)one
2((E)2(13BENZODIOXOL5YL)ETHENYL)3(2NITROPHENYL)QUINAZOLIN4ONE
2(2BENZO(13)DIOXOL5YLVINYL)3(2NITROPHENYL)3HQUINAZOLIN4ONE
372091935
C1OC2=C(O1)C=C(C=C2)C=CC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5(N+)(=O)(O)
InChI=1SC23H15N3O5c272316512617(16)2422(25(23)18734819(18)26(28)29)1210159112021(1315)31143020h113H14H2b1210+
MFCD01878030
O=c1c2ccccc2nc(n1c1ccccc1(N+)(=O)(O))C=Cc1ccc2c(c1)OCO2
ZINC000004837622
ZINC04837622
ZINC4837622
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