Vitas-M small molecule compound
1-(4-{4-[(4-nitro-1H-pyrazol-3-yl)carbonyl]piperazin-1-yl}phenyl)ethanone
Catalog ID
STL403109
SMILES O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN(CC1)c1ccc(cc1)C(=O)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 C16H17N5O4 MW 343.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N5O4/c1-11(22)12-2-4-13(5-3-12)19-6-8-20(9-7-19)16(23)15-14(21(24)25)10-17-18-15/h2-5,10H,6-9H2,1H3,(H,17,18)InChIKey
IOUOAXFFWCORQM-UHFFFAOYSA-NSynonyms
1005592-10-81(4(4((4nitro1Hpyrazol3yl)carbonyl)piperazin1yl)phenyl)ethanone
1(4(4(4NITRO1HPYRAZOLE5CARBONYL)PIPERAZIN1YL)PHENYL)ETHANONE
1005592108
1ACETYL4(4((4NITROPYRAZOL3YL)CARBONYL)PIPERAZINYL)BENZENE
CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=NN3)(N+)(=O)(O)
InChI=1SC16H17N5O4c111(22)122413(5312)196820(9719)16(23)1514(21(24)25)10171815h2510H69H21H3(H1718)
MFCD04052348
O=C(c1n(nH)cc1(N+)(=O)(O))N1CCN(CC1)c1ccc(cc1)C(=O)C
ZINC000006318180
ZINC06318180
ZINC6318180
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