Vitas-M small molecule compound

ethyl 3-({[(3-nitrophenyl)carbonyl]oxy}methyl)quinoxaline-2-carboxylate 1-oxide

Catalog ID
STK568102
SMILES CCOC(=O)c1c(COC(=O)c2cccc(c2)[N+](=O)[O-])nc2c([n+]1[O-])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 C19H15N3O7 MW 397.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15N3O7/c1-2-28-19(24)17-15(20-14-8-3-4-9-16(14)21(17)25)11-29-18(23)12-6-5-7-13(10-12)22(26)27/h3-10H,2,11H2,1H3
InChIKey
DMYDUPYCSYAQTQ-UHFFFAOYSA-N
Synonyms
714225-85-1
2(ethoxycarbonyl)3(((3nitrobenzoyl)oxy)methyl)quinoxaline1oxide
714225851
CCOC(=O)C1=(N+)(C2=CC=CC=C2N=C1COC(=O)C3=CC(=CC=C3)(N+)(=O)(O))(O)
CCOC(=O)c1c(COC(=O)c2cccc(c2)(N+)(=O)(O))nc2c((n+)1(O))cccc2
ethyl3((((3nitrophenyl)carbonyl)oxy)methyl)quinoxaline2carboxylate1oxide
ETHYL3(((3NITROBENZOYL)OXY)METHYL)QUINOXALINE2CARBOXYLATE1OXIDE
ETHYL3((3NITROBENZOYL)OXYMETHYL)1OXIDOQUINOXALIN1IUM2CARBOXYLATE
InChI=1SC19H15N3O7c122819(24)1715(2014834916(14)21(17)25)112918(23)1265713(1012)22(26)27h310H211H21H3
MFCD05685551
ZINC000005478690
ZINC05478690
ZINC5478690

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Available files

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