Vitas-M small molecule compound
ethyl 6-amino-5-cyano-4-(2-nitrophenyl)-2-propyl-4H-pyran-3-carboxylate
Catalog ID
STK759976
SMILES CCOC(=O)C1=C(CCC)OC(=C(C1c1ccccc1[N+](=O)[O-])C#N)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 C18H19N3O5 MW 357.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O5/c1-3-7-14-16(18(22)25-4-2)15(12(10-19)17(20)26-14)11-8-5-6-9-13(11)21(23)24/h5-6,8-9,15H,3-4,7,20H2,1-2H3InChIKey
CZQYEYLEKIYJFU-UHFFFAOYSA-NSynonyms
CCCC1=C(C(C(=C(O1)N)C#N)C2=CC=CC=C2(N+)(=O)(O))C(=O)OCC
CCOC(=O)C1=C(CCC)OC(=C(C1c1ccccc1(N+)(=O)(O))C#N)N
ethyl6amino5cyano4(2nitrophenyl)2propyl4Hpyran3carboxylate
InChI=1SC18H19N3O5c1371416(18(22)2542)15(12(1019)17(20)2614)11856913(11)21(23)24h568915H34720H212H3
MFCD01571610
ZINC000000710722
ZINC000000710723
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