Vitas-M small molecule compound

dimethyl [5-(benzylamino)-2-(4-nitrobenzyl)-1,3-oxazol-4-yl]phosphonate

Catalog ID
STK909237
SMILES COP(=O)(c1nc(oc1NCc1ccccc1)Cc1ccc(cc1)[N+](=O)[O-])OC

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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 C19H20N3O6P MW 417.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N3O6P/c1-26-29(25,27-2)19-18(20-13-15-6-4-3-5-7-15)28-17(21-19)12-14-8-10-16(11-9-14)22(23)24/h3-11,20H,12-13H2,1-2H3
InChIKey
PMTGMUDCEYJTRG-UHFFFAOYSA-N
Synonyms

COP(=O)(C1=C(OC(=N1)CC2=CC=C(C=C2)(N+)(=O)(O))NCC3=CC=CC=C3)OC
COP(=O)(c1nc(oc1NCc1ccccc1)Cc1ccc(cc1)(N+)(=O)(O))OC
dimethyl(5(benzylamino)2(4nitrobenzyl)13oxazol4yl)phosphonate
InChI=1SC19H20N3O6Pc12629(25272)1918(2013156435715)2817(2119)121481016(11914)22(23)24h31120H1213H212H3
MFCD06648440
Nbenzyl4dimethoxyphosphoryl2((4nitrophenyl)methyl)13oxazol5amine
ZINC000016753666
ZINC16753666

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Available files

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