Vitas-M small molecule compound
diethyl [6-amino-5-cyano-4-(3-nitrophenyl)-2-phenyl-4H-pyran-3-yl]phosphonate
Catalog ID
STK691980
SMILES CCOP(=O)(C1=C(OC(=C(C1c1cccc(c1)[N+](=O)[O-])C#N)N)c1ccccc1)OCC
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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 C22H22N3O6P MW 455.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N3O6P/c1-3-29-32(28,30-4-2)21-19(16-11-8-12-17(13-16)25(26)27)18(14-23)22(24)31-20(21)15-9-6-5-7-10-15/h5-13,19H,3-4,24H2,1-2H3InChIKey
OVVAIXOIAXMJOK-UHFFFAOYSA-NSynonyms
2amino5diethoxyphosphoryl4(3nitrophenyl)6phenyl4Hpyran3carbonitrile
CCOP(=O)(C1=C(OC(=C(C1c1cccc(c1)(N+)(=O)(O))C#N)N)c1ccccc1)OCC
CCOP(=O)(C1=C(OC(=C(C1C2=CC(=CC=C2)(N+)(=O)(O))C#N)N)C3=CC=CC=C3)OCC
diethyl(6amino5cyano4(3nitrophenyl)2phenyl4Hpyran3yl)phosphonate
InChI=1SC22H22N3O6Pc132932(283042)2119(161181217(1316)25(26)27)18(1423)22(24)3120(21)1596571015h51319H3424H212H3
MFCD10037964
ZINC000015081956
ZINC000015081958
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