Vitas-M small molecule compound
(2E)-3-(2,4-dichlorophenyl)-1-(4-{4-nitro-3-[(pyridin-3-ylmethyl)amino]phenyl}piperazin-1-yl)prop-2-en-1-one
Catalog ID
STK175343
SMILES Clc1ccc(c(c1)Cl)/C=C/C(=O)N1CCN(CC1)c1ccc(c(c1)NCc1cccnc1)[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 C25H23Cl2N5O3 MW 512.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23Cl2N5O3/c26-20-5-3-19(22(27)14-20)4-8-25(33)31-12-10-30(11-13-31)21-6-7-24(32(34)35)23(15-21)29-17-18-2-1-9-28-16-18/h1-9,14-16,29H,10-13,17H2/b8-4+InChIKey
MJYOSISUEITLDS-XBXARRHUSA-NSynonyms
(2E)3(24DICHLOROPHENYL)1(4(4NITRO3((PYRIDIN3YLMETHYL)AMINO)PHENYL)PIPERAZIN1YL)PROP2EN1ONE
(E)3(24DICHLOROPHENYL)1(4(4NITRO3(PYRIDIN3YLMETHYLAMINO)PHENYL)PIPERAZIN1YL)PROP2EN1ONE
C1CN(CCN1C2=CC(=C(C=C2)(N+)(=O)(O))NCC3=CN=CC=C3)C(=O)C=CC4=C(C=C(C=C4)Cl)Cl
Clc1ccc(c(c1)Cl)C=CC(=O)N1CCN(CC1)c1ccc(c(c1)NCc1cccnc1)(N+)(=O)(O)
InChI=1SC25H23Cl2N5O3c26205319(22(27)1420)4825(33)31121030(111331)216724(32(34)35)23(1521)291718219281618h19141629H101317H2b84+
MFCD04073832
ZINC000009892476
ZINC09892476
ZINC9892476
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