Vitas-M small molecule compound

(3E)-4-(dimethylamino)-3-(4-nitro-1H-pyrazol-1-yl)but-3-en-2-one

Catalog ID
STK313251
SMILES CN(/C=C(/n1ncc(c1)[N+](=O)[O-])\C(=O)C)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 C9H12N4O3 MW 224.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H12N4O3/c1-7(14)9(6-11(2)3)12-5-8(4-10-12)13(15)16/h4-6H,1-3H3/b9-6+
InChIKey
SOQHARUVJGBKTK-RMKNXTFCSA-N
Synonyms
1004643-50-8
(3E)4(dimethylamino)3(4nitro1Hpyrazol1yl)but3en2one
(3E)4(DIMETHYLAMINO)3(4NITROPYRAZOLYL)BUT3EN2ONE
(E)4(dimethylamino)3(4nitropyrazol1yl)but3en2one
1004643508
4DIMETHYLAMINO3(4NITROPYRAZOL1YL)BUT3EN2ONE
CC(=O)C(=CN(C)C)N1C=C(C=N1)(N+)(=O)(O)
CN(C=C(n1ncc(c1)(N+)(=O)(O))C(=O)C)C
InChI=1SC9H12N4O3c17(14)9(611(2)3)1258(41012)13(15)16h46H13H3b96+
MFCD04970009
ZINC000013960420
ZINC13960420

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Available files

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