Vitas-M small molecule compound
(2Z)-3-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
Catalog ID
STK763043
SMILES N#C/C(=C\c1cc(OC)c(c(c1Br)Br)O)/c1ccc(cc1)[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 C16H10Br2N2O4 MW 454.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H10Br2N2O4/c1-24-13-7-10(14(17)15(18)16(13)21)6-11(8-19)9-2-4-12(5-3-9)20(22)23/h2-7,21H,1H3/b11-6+InChIKey
DCWXWUAOIZYMGK-IZZDOVSWSA-NSynonyms
(2Z)3(23dibromo4hydroxy5methoxyphenyl)2(4nitrophenyl)prop2enenitrile
(Z)3(23DIBROMO4HYDROXY5METHOXYPHENYL)2(4NITROPHENYL)PROP2ENENITRILE
COC1=C(C(=C(C(=C1)C=C(C#N)C2=CC=C(C=C2)(N+)(=O)(O))Br)Br)O
InChI=1SC16H10Br2N2O4c12413710(14(17)15(18)16(13)21)611(819)92412(539)20(22)23h2721H1H3b116+
MFCD01909429
N#CC(=Cc1cc(OC)c(c(c1Br)Br)O)c1ccc(cc1)(N+)(=O)(O)
ZINC000001066547
ZINC01066547
ZINC1066547
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