Vitas-M small molecule compound

methyl 4-{(Z)-[2-({3-[4-(2-phenylethoxy)phenyl]-1H-pyrazol-5-yl}carbonyl)hydrazinylidene]methyl}benzoate

Catalog ID
STK101007
SMILES COC(=O)c1ccc(cc1)/C=N\NC(=O)c1[nH]nc(c1)c1ccc(cc1)OCCc1ccccc1

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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 C27H24N4O4 MW 468.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N4O4/c1-34-27(33)22-9-7-20(8-10-22)18-28-31-26(32)25-17-24(29-30-25)21-11-13-23(14-12-21)35-16-15-19-5-3-2-4-6-19/h2-14,17-18H,15-16H2,1H3,(H,29,30)(H,31,32)/b28-18-
InChIKey
WODAPXCCRCOKQJ-VEILYXNESA-N
Synonyms

(E)methyl4((2(3(4phenethoxyphenyl)1Hpyrazole5carbonyl)hydrazono)methyl)benzoate
COC(=O)C1=CC=C(C=C1)C=NNC(=O)C2=CC(=NN2)C3=CC=C(C=C3)OCCC4=CC=CC=C4
COC(=O)c1ccc(cc1)C=NNC(=O)c1(nH)nc(c1)c1ccc(cc1)OCCc1ccccc1
InChI=1SC27H24N4O4c13427(33)229720(81022)18283126(32)251724(293025)21111323(141221)351615195324619h2141718H1516H21H3(H2930)(H3132)b2818
methyl4((Z)((3(4(2phenylethoxy)phenyl)1Hpyrazole5carbonyl)hydrazinylidene)methyl)benzoate
METHYL4((Z)((3(4PHENETHYLOXYPHENYL)1HPYRAZOLE5CARBONYL)HYDRAZINYLIDENE)METHYL)BENZOATE
METHYL4((Z)(2((3(4(2PHENYLETHOXY)PHENYL)1HPYRAZOL5YL)CARBONYL)HYDRAZINYLIDENE)METHYL)BENZOATE
MFCD04126756
ZINC000030735299
ZINC13317037

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.