Vitas-M small molecule compound

methyl 3-nitro-5-(4H-1,2,4-triazol-4-ylcarbamoyl)benzoate

Catalog ID
STK057264
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nn1cnnc1

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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 C11H9N5O5 MW 291.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H9N5O5/c1-21-11(18)8-2-7(3-9(4-8)16(19)20)10(17)14-15-5-12-13-6-15/h2-6H,1H3,(H,14,17)
InChIKey
WNVRMXOEZDLNPF-UHFFFAOYSA-N
Synonyms
346700-27-4
346700274
3NITRO5(124TRIAZOL4YLCARBAMOYL)BENZOICACIDMETHYLESTER
3NITRO5(OXO(124TRIAZOL4YLAMINO)METHYL)BENZOICACIDMETHYLESTER
COC(=O)C1=CC(=CC(=C1)C(=O)NN2C=NN=C2)(N+)(=O)(O)
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)Nn1cnnc1
InChI=1SC11H9N5O5c12111(18)827(39(48)16(19)20)10(17)141551213615h26H1H3(H1417)
METHYL3NITRO5(124TRIAZOL4YLCARBAMOYL)BENZOATE
METHYL3NITRO5(4H124TRIAZOL4YLCARBAMOYL)BENZOATE
METHYL5NITRO3(N(124TRIAZOL4YL)CARBAMOYL)BENZOATE
MFCD01197036
STK057264
ZINC000001097987
ZINC01097987
ZINC1097987

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Available files

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