Vitas-M small molecule compound
2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodo-3-(3-nitrophenyl)quinazolin-4(3H)-one
Catalog ID
STK381364
SMILES Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccc2c(c1)OCO2)c1cccc(c1)[N+](=O)[O-]
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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 C23H14IN3O5 MW 539.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H14IN3O5/c24-15-6-7-19-18(11-15)23(28)26(16-2-1-3-17(12-16)27(29)30)22(25-19)9-5-14-4-8-20-21(10-14)32-13-31-20/h1-12H,13H2/b9-5+InChIKey
OFELOFBUEMTLHK-WEVVVXLNSA-NSynonyms
2((1E)2(2HBENZO(34D)13DIOXOLAN5YL)VINYL)6IODO3(3NITROPHENYL)3HYDROQUINAZOLIN4ONE
2((E)2(13benzodioxol5yl)ethenyl)6iodo3(3nitrophenyl)quinazolin4(3H)one
2((E)2(13BENZODIOXOL5YL)ETHENYL)6IODO3(3NITROPHENYL)QUINAZOLIN4ONE
C1OC2=C(O1)C=C(C=C2)C=CC3=NC4=C(C=C(C=C4)I)C(=O)N3C5=CC(=CC=C5)(N+)(=O)(O)
Ic1ccc2c(c1)c(=O)n(c(n2)C=Cc1ccc2c(c1)OCO2)c1cccc(c1)(N+)(=O)(O)
InChI=1SC23H14IN3O5c2415671918(1115)23(28)26(1621317(1216)27(29)30)22(2519)9514482021(1014)32133120h112H13H2b95+
MFCD03649442
ZINC000100826866
ZINC100826866
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