Vitas-M small molecule compound
1-{4-[3-(ethylamino)-4-nitrophenyl]piperazin-1-yl}-2-methylpropan-1-one
Catalog ID
STK171962
SMILES CCNc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C(=O)C(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 C16H24N4O3 MW 320.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H24N4O3/c1-4-17-14-11-13(5-6-15(14)20(22)23)18-7-9-19(10-8-18)16(21)12(2)3/h5-6,11-12,17H,4,7-10H2,1-3H3InChIKey
PURVWQQUWGSUMJ-UHFFFAOYSA-NSynonyms
1(4(3(ETHYLAMINO)4NITROPHENYL)PIPERAZIN1YL)2METHYLPROPAN1ONE
CCNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C(C)C)(N+)(=O)(O)
CCNc1cc(ccc1(N+)(=O)(O))N1CCN(CC1)C(=O)C(C)C
InChI=1SC16H24N4O3c1417141113(5615(14)20(22)23)187919(10818)16(21)12(2)3h56111217H4710H213H3
MFCD05993118
ZINC000004703644
ZINC04703644
ZINC4703644
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