Vitas-M small molecule compound
4-[1-cyano-2-(4,5-dimethoxy-2-nitrophenyl)-2-hydroxyethyl]benzonitrile
Catalog ID
STL383311
SMILES N#CC(C(c1cc(OC)c(cc1[N+](=O)[O-])OC)O)c1ccc(cc1)C#N
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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 C18H15N3O5 MW 353.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O5/c1-25-16-7-13(15(21(23)24)8-17(16)26-2)18(22)14(10-20)12-5-3-11(9-19)4-6-12/h3-8,14,18,22H,1-2H3InChIKey
IJUGQKOQPIPQKL-UHFFFAOYSA-NSynonyms
4(1cyano2(45dimethoxy2nitrophenyl)2hydroxyethyl)benzonitrile
COC1=C(C=C(C(=C1)C(C(C#N)C2=CC=C(C=C2)C#N)O)(N+)(=O)(O))OC
InChI=1SC18H15N3O5c12516713(15(21(23)24)817(16)262)18(22)14(1020)125311(919)4612h38141822H12H3
MFCD07178513
N#CC(C(c1cc(OC)c(cc1(N+)(=O)(O))OC)O)c1ccc(cc1)C#N
ZINC000016194850
ZINC000016194855
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