Vitas-M small molecule compound

2-(3-methyl-4-nitrophenyl)-1,3-benzoxazole

Catalog ID
STK224074
SMILES [O-][N+](=O)c1ccc(cc1C)c1nc2c(o1)cccc2

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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 C14H10N2O3 MW 254.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H10N2O3/c1-9-8-10(6-7-12(9)16(17)18)14-15-11-4-2-3-5-13(11)19-14/h2-8H,1H3
InChIKey
LEBHUBILCVQOSH-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1ccc(cc1C)c1nc2c(o1)cccc2
2(3methyl4nitrophenyl)13benzoxazole
CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3O2)(N+)(=O)(O)
InChI=1SC14H10N2O3c19810(6712(9)16(17)18)141511423513(11)1914h28H1H3
MFCD03624654
ZINC000000469953
ZINC00469953
ZINC469953

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Available files

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