Vitas-M small molecule compound
N'-[(1E)-2-[(5-ethyl-4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]-1-(3-nitrophenyl)ethylidene]-4-hydroxybenzohydrazide
Catalog ID
STK525096
SMILES CCc1c(C)nc(nc1O)SC/C(=N/NC(=O)c1ccc(cc1)O)/c1cccc(c1)[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 C22H21N5O5S MW 467.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O5S/c1-3-18-13(2)23-22(24-21(18)30)33-12-19(15-5-4-6-16(11-15)27(31)32)25-26-20(29)14-7-9-17(28)10-8-14/h4-11,28H,3,12H2,1-2H3,(H,26,29)(H,23,24,30)/b25-19-InChIKey
XXNGKOFNVNONDP-PLRJNAJWSA-NSynonyms
51894-06-5(E)N(2((5ethyl4hydroxy6methylpyrimidin2yl)thio)1(3nitrophenyl)ethylidene)4hydroxybenzohydrazide
51894065
CCC1=C(NC(=NC1=O)SCC(=NNC(=O)C2=CC=C(C=C2)O)C3=CC(=CC=C3)(N+)(=O)(O))C
CCc1c(C)nc(nc1O)SCC(=NNC(=O)c1ccc(cc1)O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC22H21N5O5Sc131813(2)2322(2421(18)30)331219(1554616(1115)27(31)32)252620(29)147917(28)10814h41128H312H212H3(H2629)(H232430)b2519
MFCD00316830
N((1E)2((5ethyl4hydroxy6methylpyrimidin2yl)sulfanyl)1(3nitrophenyl)ethylidene)4hydroxybenzohydrazide
N((1E)3(5ETHYL4HYDROXY6METHYLPYRIMIDIN2YLTHIO)2(3NITROPHENYL)1AZAPROP1ENYL)(4HYDROXYPHENYL)CARBOXAMIDE
N((E)(2((5ETHYL6METHYL4OXO1HPYRIMIDIN2YL)SULFANYL)1(3NITROPHENYL)ETHYLIDENE)AMINO)4HYDROXYBENZAMIDE
ZINC000017163174
ZINC102400513
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.