Vitas-M small molecule compound
ethyl 6-amino-4-(4-chloro-3-nitrophenyl)-5-cyano-2-phenyl-4H-pyran-3-carboxylate
Catalog ID
STK747531
SMILES CCOC(=O)C1=C(OC(=C(C1c1ccc(c(c1)[N+](=O)[O-])Cl)C#N)N)c1ccccc1
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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 C21H16ClN3O5 MW 425.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClN3O5/c1-2-29-21(26)18-17(13-8-9-15(22)16(10-13)25(27)28)14(11-23)20(24)30-19(18)12-6-4-3-5-7-12/h3-10,17H,2,24H2,1H3InChIKey
HNTQFSZKCMHZOG-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(OC(=C(C1c1ccc(c(c1)(N+)(=O)(O))Cl)C#N)N)c1ccccc1
CCOC(=O)C1=C(OC(=C(C1C2=CC(=C(C=C2)Cl)(N+)(=O)(O))C#N)N)C3=CC=CC=C3
ethyl6amino4(4chloro3nitrophenyl)5cyano2phenyl4Hpyran3carboxylate
InChI=1SC21H16ClN3O5c122921(26)1817(138915(22)16(1013)25(27)28)14(1123)20(24)3019(18)126435712h31017H224H21H3
MFCD00742433
ZINC000001079142
ZINC000001079144
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