Vitas-M small molecule compound
(2Z)-2-(4-chlorophenyl)-3-(2,4-dimethoxy-5-nitrophenyl)prop-2-enenitrile
Catalog ID
STK192253
SMILES N#C/C(=C\c1cc([N+](=O)[O-])c(cc1OC)OC)/c1ccc(cc1)Cl
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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 C17H13ClN2O4 MW 344.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13ClN2O4/c1-23-16-9-17(24-2)15(20(21)22)8-12(16)7-13(10-19)11-3-5-14(18)6-4-11/h3-9H,1-2H3/b13-7+InChIKey
GQWAYTXSIXXGHT-NTUHNPAUSA-NSynonyms
(2Z)2(4CHLOROPHENYL)3(24DIMETHOXY5NITROPHENYL)PROP2ENENITRILE
(Z)2(4CHLOROPHENYL)3(24DIMETHOXY5NITROPHENYL)PROP2ENENITRILE
COC1=CC(=C(C=C1C=C(C#N)C2=CC=C(C=C2)Cl)(N+)(=O)(O))OC
InChI=1SC17H13ClN2O4c12316917(242)15(20(21)22)812(16)713(1019)113514(18)6411h39H12H3b137+
MFCD06150568
N#CC(=Cc1cc((N+)(=O)(O))c(cc1OC)OC)c1ccc(cc1)Cl
ZINC000002848136
ZINC02848136
ZINC2848136
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