Vitas-M small molecule compound

5-{(Z)-2-[2-(benzyloxy)phenyl]ethenyl}-3-methyl-4-nitro-1,2-oxazole

Catalog ID
STK247675
SMILES [O-][N+](=O)c1c(/C=C\c2ccccc2OCc2ccccc2)onc1C

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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 C19H16N2O4 MW 336.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N2O4/c1-14-19(21(22)23)18(25-20-14)12-11-16-9-5-6-10-17(16)24-13-15-7-3-2-4-8-15/h2-12H,13H2,1H3/b12-11-
InChIKey
KMGQAEVVXYSZDW-QXMHVHEDSA-N
Synonyms

(O)(N+)(=O)c1c(C=Cc2ccccc2OCc2ccccc2)onc1C
3methyl4nitro5((Z)2(2phenylmethoxyphenyl)ethenyl)12oxazole
5((Z)2(2(benzyloxy)phenyl)ethenyl)3methyl4nitro12oxazole
CC1=NOC(=C1(N+)(=O)(O))C=CC2=CC=CC=C2OCC3=CC=CC=C3
InChI=1SC19H16N2O4c11419(21(22)23)18(252014)1211169561017(16)2413157324815h212H13H21H3b1211
MFCD08676854
ZINC000009667890
ZINC09667890
ZINC9667890

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Available files

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