Vitas-M small molecule compound
ethyl 4-{6-iodo-2-[(E)-2-(3-nitrophenyl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzoate
Catalog ID
STK550684
SMILES CCOC(=O)c1ccc(cc1)n1c(/C=C/c2cccc(c2)[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 C25H18IN3O5 MW 567.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18IN3O5/c1-2-34-25(31)17-7-10-19(11-8-17)28-23(13-6-16-4-3-5-20(14-16)29(32)33)27-22-12-9-18(26)15-21(22)24(28)30/h3-15H,2H2,1H3/b13-6+InChIKey
DNPAJNDTYJWXSC-AWNIVKPZSA-NSynonyms
(E)ethyl4(6iodo2(3nitrostyryl)4oxoquinazolin3(4H)yl)benzoate
CCOC(=O)C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)C=CC4=CC(=CC=C4)(N+)(=O)(O)
CCOC(=O)c1ccc(cc1)n1c(C=Cc2cccc(c2)(N+)(=O)(O))nc2c(c1=O)cc(cc2)I
ethyl4(6iodo2((E)2(3nitrophenyl)ethenyl)4oxoquinazolin3(4H)yl)benzoate
ETHYL4(6IODO2((E)2(3NITROPHENYL)ETHENYL)4OXOQUINAZOLIN3YL)BENZOATE
InChI=1SC25H18IN3O5c123425(31)1771019(11817)2823(1361643520(1416)29(32)33)272212918(26)1521(22)24(28)30h315H2H21H3b136+
MFCD03678295
ZINC000102456892
ZINC102456892
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