Vitas-M small molecule compound
1-(azepan-1-yl)-2-(3-nitro-1H-pyrazol-1-yl)ethanone
Catalog ID
STK780796
SMILES O=C(N1CCCCCC1)Cn1ccc(n1)[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 C11H16N4O3 MW 252.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H16N4O3/c16-11(13-6-3-1-2-4-7-13)9-14-8-5-10(12-14)15(17)18/h5,8H,1-4,6-7,9H2InChIKey
YHOSZZUTVIYTQY-UHFFFAOYSA-NSynonyms
1((3NITRO1HPYRAZOL1YL)ACETYL)AZEPANE
1(azepan1yl)2(3nitro1Hpyrazol1yl)ethanone
1(AZEPAN1YL)2(3NITROPYRAZOL1YL)ETHANONE
1AZAPERHYDROEPINYL2(3NITROPYRAZOLYL)ETHAN1ONE
C1CCCN(CC1)C(=O)CN2C=CC(=N2)(N+)(=O)(O)
InChI=1SC11H16N4O3c1611(1363124713)9148510(1214)15(17)18h58H14679H2
MFCD06013659
O=C(N1CCCCCC1)Cn1ccc(n1)(N+)(=O)(O)
ZINC000001070590
ZINC01070590
ZINC1070590
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