Vitas-M small molecule compound
(2E)-3-(1-methyl-1H-pyrazol-4-yl)-2-nitro-1-phenylprop-2-en-1-one
Catalog ID
STK308508
SMILES Cn1ncc(c1)/C=C(\C(=O)c1ccccc1)/[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 C13H11N3O3 MW 257.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11N3O3/c1-15-9-10(8-14-15)7-12(16(18)19)13(17)11-5-3-2-4-6-11/h2-9H,1H3/b12-7+InChIKey
BKAZAFBUAJQURM-KPKJPENVSA-NSynonyms
1005632-52-9(2E)3(1methyl1Hpyrazol4yl)2nitro1phenylprop2en1one
(E)3(1methylpyrazol4yl)2nitro1phenylprop2en1one
1005632529
CN1C=C(C=N1)C=C(C(=O)C2=CC=CC=C2)(N+)(=O)(O)
Cn1ncc(c1)C=C(C(=O)c1ccccc1)(N+)(=O)(O)
InChI=1SC13H11N3O3c115910(81415)712(16(18)19)13(17)115324611h29H1H3b127+
MFCD04046868
ZINC000006828122
ZINC06828122
ZINC6828122
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