Vitas-M small molecule compound

5-[4-(benzyloxy)-5-methoxy-2-nitrobenzylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK755491
SMILES COc1cc(C=C2C(=O)N(C)C(=O)N(C2=O)C)c(cc1OCc1ccccc1)[N+](=O)[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 C21H19N3O7 MW 425.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O7/c1-22-19(25)15(20(26)23(2)21(22)27)9-14-10-17(30-3)18(11-16(14)24(28)29)31-12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3
InChIKey
QXJQOMZIFKLEHQ-UHFFFAOYSA-N
Synonyms

5((4(BENZYLOXY)5METHOXY2NITROPHENYL)METHYLIDENE)13DIMETHYLPYRIMIDINE246(1H3H5H)TRIONE
5((5METHOXY2NITRO4(PHENYLMETHOXY)PHENYL)METHYLENE)13DIMETHYL13DIHYDROPYRIMIDINE246TRIONE
5((5METHOXY2NITRO4PHENYLMETHOXYPHENYL)METHYLIDENE)13DIMETHYL13DIAZINANE246TRIONE
5(4(BENZYLOXY)2NITRO5METHOXYBENZYLIDENE)13DIMETHYL246(1H3H5H)PYRIMIDINETRIONE
5(4(benzyloxy)5methoxy2nitrobenzylidene)13dimethylpyrimidine246(1H3H5H)trione
CN1C(=O)C(=CC2=CC(=C(C=C2(N+)(=O)(O))OCC3=CC=CC=C3)OC)C(=O)N(C1=O)C
COc1cc(C=C2C(=O)N(C)C(=O)N(C2=O)C)c(cc1OCc1ccccc1)(N+)(=O)(O)
InChI=1SC21H19N3O7c12219(25)15(20(26)23(2)21(22)27)9141017(303)18(1116(14)24(28)29)3112137546813h411H12H213H3
MFCD00828212
ZINC000003663254
ZINC03663254
ZINC3663254

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Available files

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