Vitas-M small molecule compound
1-(azepan-1-yl)-3-(4-nitro-1H-pyrazol-1-yl)propan-1-one
Catalog ID
STK303510
SMILES O=C(N1CCCCCC1)CCn1ncc(c1)[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 C12H18N4O3 MW 266.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H18N4O3/c17-12(14-6-3-1-2-4-7-14)5-8-15-10-11(9-13-15)16(18)19/h9-10H,1-8H2InChIKey
JVEUPLVMJWMGIA-UHFFFAOYSA-NSynonyms
1005651-25-11(azepan1yl)3(4nitro1Hpyrazol1yl)propan1one
1(AZEPAN1YL)3(4NITROPYRAZOL1YL)PROPAN1ONE
1005651251
1AZAPERHYDROEPINYL3(4NITROPYRAZOLYL)PROPAN1ONE
C1CCCN(CC1)C(=O)CCN2C=C(C=N2)(N+)(=O)(O)
InChI=1SC12H18N4O3c1712(1463124714)58151011(91315)16(18)19h910H18H2
MFCD04043336
O=C(N1CCCCCC1)CCn1ncc(c1)(N+)(=O)(O)
ZINC000002777569
ZINC02777569
ZINC2777569
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