Vitas-M small molecule compound

(4E)-4-{2-[2-(2-methoxyphenoxy)ethoxy]-5-nitrobenzylidene}-2-phenyl-1,3-oxazol-5(4H)-one

Catalog ID
STK002062
SMILES COc1ccccc1OCCOc1ccc(cc1/C=C\1/N=C(OC1=O)c1ccccc1)[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 C25H20N2O7 MW 460.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O7/c1-31-22-9-5-6-10-23(22)33-14-13-32-21-12-11-19(27(29)30)15-18(21)16-20-25(28)34-24(26-20)17-7-3-2-4-8-17/h2-12,15-16H,13-14H2,1H3/b20-16+
InChIKey
AWWFGWBXWSNIIY-CAPFRKAQSA-N
Synonyms

(4E)4((2(2(2METHOXYPHENOXY)ETHOXY)5NITROPHENYL)METHYLIDENE)2PHENYL13OXAZOL5ONE
(4E)4(2(2(2METHOXYPHENOXY)ETHOXY)5NITROBENZYLIDENE)2PHENYL13OXAZOL5(4H)ONE
COC1=CC=CC=C1OCCOC2=C(C=C(C=C2)(N+)(=O)(O))C=C3C(=O)OC(=N3)C4=CC=CC=C4
COc1ccccc1OCCOc1ccc(cc1C=C1N=C(OC1=O)c1ccccc1)(N+)(=O)(O)
InChI=1SC25H20N2O7c131229561023(22)3314133221121119(27(29)30)1518(21)162025(28)3424(2620)177324817h2121516H1314H21H3b2016+
MFCD03227986
STK002062
ZINC000002983535
ZINC02983535
ZINC2983535

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Available files

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