Vitas-M small molecule compound

methyl 2,1,3-benzoxadiazole-5-carboxylate 1-oxide

Catalog ID
STK836585
SMILES COC(=O)c1ccc2c(c1)no[n+]2[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 C8H6N2O4 MW 194.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H6N2O4/c1-13-8(11)5-2-3-7-6(4-5)9-14-10(7)12/h2-4H,1H3
InChIKey
RNWZDPNHUZUYQZ-UHFFFAOYSA-N
Synonyms
36389-06-7
1OXYBENZO(125)OXADIAZOLE5CARBOXYLICACIDMETHYLESTER
36389067
5(methoxycarbonyl)benzo(c)(125)oxadiazole1oxide
COC(=O)C1=CC2=NO(N+)(=C2C=C1)(O)
COC(=O)c1ccc2c(c1)no(n+)2(O)
InChI=1SC8H6N2O4c1138(11)52376(45)91410(7)12h24H1H3
METHYL1HYDROXYBENZO(C)125OXADIAZOLE5CARBOXYLATE
METHYL1OXIDO213BENZOXADIAZOL1IUM5CARBOXYLATE
methyl213benzoxadiazole5carboxylate1oxide
METHYLBENZOFUROXAN5CARBOXYLATE
MFCD02039656
ZINC000000182535
ZINC00182535
ZINC182535

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Available files

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