Vitas-M small molecule compound

4-(2-methoxyphenyl)-2-(4-methyl-3-nitrophenyl)-6H-1,3-oxazin-6-one

Catalog ID
STK537325
SMILES COc1ccccc1c1cc(=O)oc(n1)c1ccc(c(c1)[N+](=O)[O-])C

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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 C18H14N2O5 MW 338.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N2O5/c1-11-7-8-12(9-15(11)20(22)23)18-19-14(10-17(21)25-18)13-5-3-4-6-16(13)24-2/h3-10H,1-2H3
InChIKey
MKCLEFDYFVSDFJ-UHFFFAOYSA-N
Synonyms

4(2METHOXYPHENYL)2(4METHYL3NITROPHENYL)13OXAZIN6ONE
4(2methoxyphenyl)2(4methyl3nitrophenyl)6H13oxazin6one
CC1=C(C=C(C=C1)C2=NC(=CC(=O)O2)C3=CC=CC=C3OC)(N+)(=O)(O)
COc1ccccc1c1cc(=O)oc(n1)c1ccc(c(c1)(N+)(=O)(O))C
InChI=1SC18H14N2O5c1117812(915(11)20(22)23)181914(1017(21)2518)13534616(13)242h310H12H3
MFCD02997018
ZINC000000519931
ZINC00519931
ZINC519931

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Available files

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