Vitas-M small molecule compound
ethyl 6-amino-5-cyano-4-(3-nitrophenyl)-2-propyl-4H-pyran-3-carboxylate
Catalog ID
STK758914
SMILES CCOC(=O)C1=C(CCC)OC(=C(C1c1cccc(c1)[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/c1-3-6-14-16(18(22)25-4-2)15(13(10-19)17(20)26-14)11-7-5-8-12(9-11)21(23)24/h5,7-9,15H,3-4,6,20H2,1-2H3InChIKey
FLNQDMJBAYNJNN-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(C1c1cccc(c1)(N+)(=O)(O))C#N)N
ethyl6amino5cyano4(3nitrophenyl)2propyl4Hpyran3carboxylate
InChI=1SC18H19N3O5c1361416(18(22)2542)15(13(1019)17(20)2614)1175812(911)21(23)24h57915H34620H212H3
MFCD01460396
ZINC000001446323
ZINC000001446324
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