Vitas-M small molecule compound

ethyl 6-amino-5-cyano-2-methyl-4-(2,4,6-trimethyl-3-nitrophenyl)-4H-pyran-3-carboxylate

Catalog ID
STK754884
SMILES CCOC(=O)C1=C(C)OC(=C(C1c1c(C)cc(c(c1C)[N+](=O)[O-])C)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 C19H21N3O5 MW 371.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O5/c1-6-26-19(23)15-12(5)27-18(21)13(8-20)16(15)14-9(2)7-10(3)17(11(14)4)22(24)25/h7,16H,6,21H2,1-5H3
InChIKey
LJGJRFROXKIJQI-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(C)OC(=C(C1c1c(C)cc(c(c1C)(N+)(=O)(O))C)C#N)N
CCOC(=O)C1=C(OC(=C(C1C2=C(C(=C(C=C2C)C)(N+)(=O)(O))C)C#N)N)C
ETHYL6AMINO5CYANO2METHYL4(246TRIMETHYL3NITROPHENYL)4HPYRAN3CARBOXYLATE
ETHYL6AMINO5CYANO4(3NITRO246TRIMETHYLPHENYL)2METHYL4HPYRAN3CARBOXYLATE
InChI=1SC19H21N3O5c162619(23)1512(5)2718(21)13(820)16(15)149(2)710(3)17(11(14)4)22(24)25h716H621H215H3
MFCD00361299
ZINC000000713772
ZINC000000713773

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Available files

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