Vitas-M small molecule compound
6-iodo-3-(3-methoxyphenyl)-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4(3H)-one
Catalog ID
STK722496
SMILES COc1cccc(c1)n1c(/C=C/c2ccc(cc2)[N+](=O)[O-])nc2c(c1=O)cc(cc2)I
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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 C23H16IN3O4 MW 525.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16IN3O4/c1-31-19-4-2-3-18(14-19)26-22(12-7-15-5-9-17(10-6-15)27(29)30)25-21-11-8-16(24)13-20(21)23(26)28/h2-14H,1H3/b12-7+InChIKey
CYRGJPITKAQQNN-KPKJPENVSA-NSynonyms
(E)6iodo3(3methoxyphenyl)2(4nitrostyryl)quinazolin4(3H)one
6iodo3(3methoxyphenyl)2((E)2(4nitrophenyl)ethenyl)quinazolin4(3H)one
6IODO3(3METHOXYPHENYL)2((E)2(4NITROPHENYL)ETHENYL)QUINAZOLIN4ONE
COC1=CC=CC(=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)C=CC4=CC=C(C=C4)(N+)(=O)(O)
COc1cccc(c1)n1c(C=Cc2ccc(cc2)(N+)(=O)(O))nc2c(c1=O)cc(cc2)I
InChI=1SC23H16IN3O4c1311942318(1419)2622(127155917(10615)27(29)30)252111816(24)1320(21)23(26)28h214H1H3b127+
MFCD02240123
ZINC000100369329
ZINC100369329
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