Vitas-M small molecule compound

diethyl {5-[(4-methylbenzyl)amino]-2-(4-nitrophenyl)-1,3-oxazol-4-yl}phosphonate

Catalog ID
STK908270
SMILES CCOP(=O)(c1nc(oc1NCc1ccc(cc1)C)c1ccc(cc1)[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 C21H24N3O6P MW 445.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N3O6P/c1-4-28-31(27,29-5-2)21-20(22-14-16-8-6-15(3)7-9-16)30-19(23-21)17-10-12-18(13-11-17)24(25)26/h6-13,22H,4-5,14H2,1-3H3
InChIKey
CBAQESFGDIFGMH-UHFFFAOYSA-N
Synonyms

4diethoxyphosphorylN((4methylphenyl)methyl)2(4nitrophenyl)13oxazol5amine
CCOP(=O)(C1=C(OC(=N1)C2=CC=C(C=C2)(N+)(=O)(O))NCC3=CC=C(C=C3)C)OCC
CCOP(=O)(c1nc(oc1NCc1ccc(cc1)C)c1ccc(cc1)(N+)(=O)(O))OCC
diethyl(5((4methylbenzyl)amino)2(4nitrophenyl)13oxazol4yl)phosphonate
InChI=1SC21H24N3O6Pc142831(272952)2120(2214168615(3)7916)3019(2321)17101218(131117)24(25)26h61322H4514H213H3
MFCD06647738
ZINC000016806385
ZINC16806385

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Available files

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