Vitas-M small molecule compound
6-iodo-3-(4-methoxyphenyl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4(3H)-one
Catalog ID
STK679490
SMILES COc1ccc(cc1)n1c(/C=C/c2ccc(o2)[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 C21H14IN3O5 MW 515.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14IN3O5/c1-29-15-5-3-14(4-6-15)24-19(10-7-16-8-11-20(30-16)25(27)28)23-18-9-2-13(22)12-17(18)21(24)26/h2-12H,1H3/b10-7+InChIKey
OPVANVFCJAJJCW-JXMROGBWSA-NSynonyms
2((1E)2(5NITRO(2FURYL))VINYL)6IODO3(4METHOXYPHENYL)3HYDROQUINAZOLIN4ONE
6IODO3(4METHOXYPHENYL)2((E)2(5NITROFURAN2YL)ETHENYL)QUINAZOLIN4(3H)ONE
6IODO3(4METHOXYPHENYL)2((E)2(5NITROFURAN2YL)ETHENYL)QUINAZOLIN4ONE
COC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)C=CC4=CC=C(O4)(N+)(=O)(O)
COc1ccc(cc1)n1c(C=Cc2ccc(o2)(N+)(=O)(O))nc2c(c1=O)cc(cc2)I
InChI=1SC21H14IN3O5c129155314(4615)2419(1071681120(3016)25(27)28)23189213(22)1217(18)21(24)26h212H1H3b107+
MFCD03640271
ZINC000100122858
ZINC100122858
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