Vitas-M small molecule compound
(4Z)-5-methyl-2-(4-nitrophenyl)-4-({[(1-propanoylpiperidin-4-yl)methyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK261827
SMILES CCC(=O)N1CCC(CC1)CN/C=C\1/C(=NN(C1=O)c1ccc(cc1)[N+](=O)[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 C20H25N5O4 MW 399.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N5O4/c1-3-19(26)23-10-8-15(9-11-23)12-21-13-18-14(2)22-24(20(18)27)16-4-6-17(7-5-16)25(28)29/h4-7,13,15,21H,3,8-12H2,1-2H3/b18-13-InChIKey
MXDXHNJVZFIBFV-AQTBWJFISA-NSynonyms
(4Z)5methyl2(4nitrophenyl)4((((1propanoylpiperidin4yl)methyl)amino)methylidene)24dihydro3Hpyrazol3one
(4Z)5METHYL2(4NITROPHENYL)4(((1PROPANOYLPIPERIDIN4YL)METHYLAMINO)METHYLIDENE)PYRAZOL3ONE
3METHYL1(4NITROPHENYL)4((((1PROPANOYL(4PIPERIDYL))METHYL)AMINO)METHYLENE)12DIAZOLIN5ONE
CCC(=O)N1CCC(CC1)CNC=C1C(=NN(C1=O)c1ccc(cc1)(N+)(=O)(O))C
CCC(=O)N1CCC(CC1)CNC=C2C(=NN(C2=O)C3=CC=C(C=C3)(N+)(=O)(O))C
InChI=1SC20H25N5O4c1319(26)2310815(91123)1221131814(2)2224(20(18)27)164617(7516)25(28)29h47131521H3812H212H3b1813
MFCD02632943
ZINC000003878055
ZINC03878055
ZINC3878055
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