Vitas-M small molecule compound
(3-ethoxyphenyl){4-[3-(ethylamino)-4-nitrophenyl]piperazin-1-yl}methanone
Catalog ID
STK171998
SMILES CCNc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C(=O)c1cccc(c1)OCC
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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 C21H26N4O4 MW 398.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O4/c1-3-22-19-15-17(8-9-20(19)25(27)28)23-10-12-24(13-11-23)21(26)16-6-5-7-18(14-16)29-4-2/h5-9,14-15,22H,3-4,10-13H2,1-2H3InChIKey
YIOCOGXEXYHNBG-UHFFFAOYSA-NSynonyms
(3ETHOXYPHENYL)(4(3(ETHYLAMINO)4NITROPHENYL)PIPERAZIN1YL)METHANONE
CCNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)OCC)(N+)(=O)(O)
CCNc1cc(ccc1(N+)(=O)(O))N1CCN(CC1)C(=O)c1cccc(c1)OCC
InChI=1SC21H26N4O4c1322191517(8920(19)25(27)28)23101224(131123)21(26)1665718(1416)2942h59141522H341013H212H3
MFCD05794961
ZINC000004703661
ZINC04703661
ZINC4703661
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