Vitas-M small molecule compound

methyl 7-(3-nitrophenyl)-1-nitroso-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate

Catalog ID
STK999679
SMILES O=NN1N=C(CC21CC(=O)N(C2=O)c1cccc(c1)[N+](=O)[O-])C(=O)OC

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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 C14H11N5O7 MW 361.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H11N5O7/c1-26-12(21)10-6-14(19(15-10)16-23)7-11(20)17(13(14)22)8-3-2-4-9(5-8)18(24)25/h2-5H,6-7H2,1H3
InChIKey
MIGIQDJPEUTSCH-UHFFFAOYSA-N
Synonyms
839704-12-0
839704120
COC(=O)C1=NN(C2(C1)CC(=O)N(C2=O)C3=CC(=CC=C3)(N+)(=O)(O))N=O
InChI=1SC14H11N5O7c12612(21)10614(19(1510)1623)711(20)17(13(14)22)83249(58)18(24)25h25H67H21H3
methyl7(3nitrophenyl)1nitroso68dioxo127triazaspiro(44)non2ene3carboxylate
METHYL8(3NITROPHENYL)4NITROSO79DIOXO348TRIAZASPIRO(44)NON2ENE2CARBOXYLATE
MFCD03693591
O=NN1N=C(CC21CC(=O)N(C2=O)c1cccc(c1)(N+)(=O)(O))C(=O)OC
ZINC000009463704
ZINC000009463706

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Available files

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