Vitas-M small molecule compound

N'-[(E)-(4-butoxyphenyl)methylidene]-3-{4-[(2-chlorobenzyl)oxy]phenyl}-1H-pyrazole-5-carbohydrazide

Catalog ID
STK105884
SMILES CCCCOc1ccc(cc1)/C=N/NC(=O)c1[nH]nc(c1)c1ccc(cc1)OCc1ccccc1Cl

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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 C28H27ClN4O3 MW 503.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27ClN4O3/c1-2-3-16-35-23-12-8-20(9-13-23)18-30-33-28(34)27-17-26(31-32-27)21-10-14-24(15-11-21)36-19-22-6-4-5-7-25(22)29/h4-15,17-18H,2-3,16,19H2,1H3,(H,31,32)(H,33,34)/b30-18+
InChIKey
FLIXGIQVHZVTJH-UXHLAJHPSA-N
Synonyms
634897-62-4
(E)N(4butoxybenzylidene)3(4((2chlorobenzyl)oxy)phenyl)1Hpyrazole5carbohydrazide
634897624
CCCCOC1=CC=C(C=C1)C=NNC(=O)C2=CC(=NN2)C3=CC=C(C=C3)OCC4=CC=CC=C4Cl
CCCCOc1ccc(cc1)C=NNC(=O)c1(nH)nc(c1)c1ccc(cc1)OCc1ccccc1Cl
InChI=1SC28H27ClN4O3c12316352312820(91323)18303328(34)271726(313227)21101424(151121)361922645725(22)29h4151718H231619H21H3(H3132)(H3334)b3018+
MFCD03663794
N((1E)2(4BUTOXYPHENYL)1AZAVINYL)(3(4((2CHLOROPHENYL)METHOXY)PHENYL)PYRAZOL5YL)CARBOXAMIDE
N((E)(4BUTOXYPHENYL)METHYLIDENE)3(4((2CHLOROBENZYL)OXY)PHENYL)1HPYRAZOLE5CARBOHYDRAZIDE
N((E)(4BUTOXYPHENYL)METHYLIDENEAMINO)3(4((2CHLOROPHENYL)METHOXY)PHENYL)1HPYRAZOLE5CARBOXAMIDE
N(4BUTOXYBENZYLIDENE)5(4((2CHLOROBENZYL)OXY)PHENYL)1HPYRAZOLE3CARBOHYDRAZIDE
ZINC000009361241
ZINC33363215

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Available files

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