Vitas-M small molecule compound
2-methoxy-4-{(E)-[2-(3-methoxyphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 3-nitrobenzoate
Catalog ID
STL426873
SMILES COc1cccc(c1)C1=N/C(=C/c2ccc(c(c2)OC)OC(=O)c2cccc(c2)[N+](=O)[O-])/C(=O)O1
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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 C25H18N2O8 MW 474.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18N2O8/c1-32-19-8-4-5-16(14-19)23-26-20(25(29)35-23)11-15-9-10-21(22(12-15)33-2)34-24(28)17-6-3-7-18(13-17)27(30)31/h3-14H,1-2H3/b20-11+InChIKey
POCKGDANRMXSFM-RGVLZGJSSA-NSynonyms
(2METHOXY4((E)(2(3METHOXYPHENYL)5OXO13OXAZOL4YLIDENE)METHYL)PHENYL)3NITROBENZOATE
2methoxy4((E)(2(3methoxyphenyl)5oxo13oxazol4(5H)ylidene)methyl)phenyl3nitrobenzoate
COC1=CC=CC(=C1)C2=NC(=CC3=CC(=C(C=C3)OC(=O)C4=CC(=CC=C4)(N+)(=O)(O))OC)C(=O)O2
COc1cccc(c1)C1=NC(=Cc2ccc(c(c2)OC)OC(=O)c2cccc(c2)(N+)(=O)(O))C(=O)O1
InChI=1SC25H18N2O8c1321984516(1419)232620(25(29)3523)111591021(22(1215)332)3424(28)1763718(1317)27(30)31h314H12H3b2011+
MFCD07546708
ZINC000020274123
ZINC20274123
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