Vitas-M small molecule compound

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

Catalog ID
STK549164
SMILES COC(=O)C1=NN(C2(C1)CC(=O)N(C2=O)c1cccc(c1)[N+](=O)[O-])C(=O)C

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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 C16H14N4O7 MW 374.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N4O7/c1-9(21)19-16(7-12(17-19)14(23)27-2)8-13(22)18(15(16)24)10-4-3-5-11(6-10)20(25)26/h3-6H,7-8H2,1-2H3
InChIKey
JTLPYGQPVBMDGX-UHFFFAOYSA-N
Synonyms
679824-14-7
679824147
CC(=O)N1C2(CC(=N1)C(=O)OC)CC(=O)N(C2=O)C3=CC(=CC=C3)(N+)(=O)(O)
COC(=O)C1=NN(C2(C1)CC(=O)N(C2=O)c1cccc(c1)(N+)(=O)(O))C(=O)C
InChI=1SC16H14N4O7c19(21)1916(712(1719)14(23)272)813(22)18(15(16)24)1043511(610)20(25)26h36H78H212H3
methyl1acetyl7(3nitrophenyl)68dioxo127triazaspiro(44)non2ene3carboxylate
METHYL4ACETYL8(3NITROPHENYL)79DIOXO348TRIAZASPIRO(44)NON2ENE2CARBOXYLATE
MFCD03671693
ZINC000009075547
ZINC000009075548

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Available files

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