Vitas-M small molecule compound

diethyl [5-(benzylamino)-2-(3-nitrophenyl)-1,3-oxazol-4-yl]phosphonate

Catalog ID
STK821839
SMILES CCOP(=O)(c1nc(oc1NCc1ccccc1)c1cccc(c1)[N+](=O)[O-])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 C20H22N3O6P MW 431.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N3O6P/c1-3-27-30(26,28-4-2)20-19(21-14-15-9-6-5-7-10-15)29-18(22-20)16-11-8-12-17(13-16)23(24)25/h5-13,21H,3-4,14H2,1-2H3
InChIKey
HKCACSKCGOEAPR-UHFFFAOYSA-N
Synonyms

CCOP(=O)(C1=C(OC(=N1)C2=CC(=CC=C2)(N+)(=O)(O))NCC3=CC=CC=C3)OCC
CCOP(=O)(c1nc(oc1NCc1ccccc1)c1cccc(c1)(N+)(=O)(O))OCC
diethyl(5(benzylamino)2(3nitrophenyl)13oxazol4yl)phosphonate
InChI=1SC20H22N3O6Pc132730(262842)2019(21141596571015)2918(2220)161181217(1316)23(24)25h51321H3414H212H3
MFCD00695309
Nbenzyl4diethoxyphosphoryl2(3nitrophenyl)13oxazol5amine
ZINC000003066757
ZINC03066757
ZINC3066757

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.