Vitas-M small molecule compound
(2E)-3-(2,4-dichlorophenyl)-1-{4-[3-(methylamino)-4-nitrophenyl]piperazin-1-yl}prop-2-en-1-one
Catalog ID
STK172415
SMILES CNc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C(=O)/C=C/c1ccc(cc1Cl)Cl
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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 C20H20Cl2N4O3 MW 435.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20Cl2N4O3/c1-23-18-13-16(5-6-19(18)26(28)29)24-8-10-25(11-9-24)20(27)7-3-14-2-4-15(21)12-17(14)22/h2-7,12-13,23H,8-11H2,1H3/b7-3+InChIKey
ILLFNCCVCYXRNQ-XVNBXDOJSA-NSynonyms
(2E)3(24DICHLOROPHENYL)1(4(3(METHYLAMINO)4NITROPHENYL)PIPERAZIN1YL)PROP2EN1ONE
(E)3(24DICHLOROPHENYL)1(4(3(METHYLAMINO)4NITROPHENYL)PIPERAZIN1YL)PROP2EN1ONE
CNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C=CC3=C(C=C(C=C3)Cl)Cl)(N+)(=O)(O)
CNc1cc(ccc1(N+)(=O)(O))N1CCN(CC1)C(=O)C=Cc1ccc(cc1Cl)Cl
InChI=1SC20H20Cl2N4O3c123181316(5619(18)26(28)29)2481025(11924)20(27)73142415(21)1217(14)22h27121323H811H21H3b73+
MFCD04374909
ZINC000009891990
ZINC09891990
ZINC9891990
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