Vitas-M small molecule compound

dimethyl [5-(methylamino)-2-(4-nitrophenyl)-1,3-oxazol-4-yl]phosphonate

Catalog ID
STK908769
SMILES CNc1oc(nc1P(=O)(OC)OC)c1ccc(cc1)[N+](=O)[O-]

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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 C12H14N3O6P MW 327.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14N3O6P/c1-13-11-12(22(18,19-2)20-3)14-10(21-11)8-4-6-9(7-5-8)15(16)17/h4-7,13H,1-3H3
InChIKey
NQMRYLNNUNVYAA-UHFFFAOYSA-N
Synonyms

4dimethoxyphosphorylNmethyl2(4nitrophenyl)13oxazol5amine
CNC1=C(N=C(O1)C2=CC=C(C=C2)(N+)(=O)(O))P(=O)(OC)OC
CNc1oc(nc1P(=O)(OC)OC)c1ccc(cc1)(N+)(=O)(O)
dimethyl(5(methylamino)2(4nitrophenyl)13oxazol4yl)phosphonate
InChI=1SC12H14N3O6Pc1131112(22(18192)203)1410(2111)8469(758)15(16)17h4713H13H3
MFCD06648062
ZINC000016753025
ZINC16753025

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Available files

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