Vitas-M small molecule compound
2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodo-3-(4-methyl-3-nitrophenyl)quinazolin-4(3H)-one
Catalog ID
STL048443
SMILES Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccc2c(c1)OCO2)c1ccc(c(c1)[N+](=O)[O-])C
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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 C24H16IN3O5 MW 553.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H16IN3O5/c1-14-2-6-17(12-20(14)28(30)31)27-23(26-19-7-5-16(25)11-18(19)24(27)29)9-4-15-3-8-21-22(10-15)33-13-32-21/h2-12H,13H2,1H3/b9-4+InChIKey
GFFKEJXFMXCPIS-RUDMXATFSA-NSynonyms
(E)2(2(benzo(d)(13)dioxol5yl)vinyl)6iodo3(4methyl3nitrophenyl)quinazolin4(3H)one
2((E)2(13benzodioxol5yl)ethenyl)6iodo3(4methyl3nitrophenyl)quinazolin4(3H)one
2((E)2(13BENZODIOXOL5YL)ETHENYL)6IODO3(4METHYL3NITROPHENYL)QUINAZOLIN4ONE
CC1=C(C=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)C=CC4=CC5=C(C=C4)OCO5)(N+)(=O)(O)
Ic1ccc2c(c1)c(=O)n(c(n2)C=Cc1ccc2c(c1)OCO2)c1ccc(c(c1)(N+)(=O)(O))C
InChI=1SC24H16IN3O5c1142617(1220(14)28(30)31)2723(26197516(25)1118(19)24(27)29)9415382122(1015)33133221h212H13H21H3b94+
MFCD03687157
ZINC000102884221
ZINC102884221
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