Vitas-M small molecule compound
3-[4-(octyloxy)phenyl]-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]-1H-pyrazole-5-carbohydrazide
Catalog ID
STL362013
SMILES CCCCCCCCOc1ccc(cc1)c1n[nH]c(c1)C(=O)N/N=C/C=C/c1ccccc1
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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 C27H32N4O2 MW 444.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N4O2/c1-2-3-4-5-6-10-20-33-24-17-15-23(16-18-24)25-21-26(30-29-25)27(32)31-28-19-11-14-22-12-8-7-9-13-22/h7-9,11-19,21H,2-6,10,20H2,1H3,(H,29,30)(H,31,32)/b14-11+,28-19+InChIKey
ILNRSWHEAPWAQH-PQNPBBKWSA-NSynonyms
306754-37-0(E)3(4(octyloxy)phenyl)N((E)3phenylallylidene)1Hpyrazole5carbohydrazide
3(4(octyloxy)phenyl)N((1E2E)3phenylprop2en1ylidene)1Hpyrazole5carbohydrazide
3(4octoxyphenyl)N((E)((E)3phenylprop2enylidene)amino)1Hpyrazole5carboxamide
306754370
CCCCCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN=CC=CC3=CC=CC=C3
CCCCCCCCOc1ccc(cc1)c1n(nH)c(c1)C(=O)NN=CC=Cc1ccccc1
InChI=1SC27H32N4O2c12345610203324171523(161824)252126(302925)27(32)312819111422128791322h79111921H261020H21H3(H2930)(H3132)b1411+2819+
MFCD01913655
N((1E3E)4PHENYL1AZABUTA13DIENYL)(3(4OCTYLOXYPHENYL)PYRAZOL5YL)CARBOXAMIDE
ZINC000101013738
ZINC102429771
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