Vitas-M small molecule compound

2-(4-{(Z)-[1-(2-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-ethoxyphenoxy)-N-(2-phenylethyl)acetamide

Catalog ID
STL172113
SMILES CCOc1cc(ccc1OCC(=O)NCCc1ccccc1)/C=C\1/C(=NN(C1=O)c1ccccc1Cl)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 C29H28ClN3O4 MW 518.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28ClN3O4/c1-3-36-27-18-22(17-23-20(2)32-33(29(23)35)25-12-8-7-11-24(25)30)13-14-26(27)37-19-28(34)31-16-15-21-9-5-4-6-10-21/h4-14,17-18H,3,15-16,19H2,1-2H3,(H,31,34)/b23-17-
InChIKey
SDNJTTXNTSXZMP-QJOMJCCJSA-N
Synonyms
355002-00-5
2(4((1(2CHLOROPHENYL)3METHYL5OXO15DIHYDRO4HPYRAZOL4YLIDENE)METHYL)2ETHOXYPHENOXY)N(2PHENYLETHYL)ACETAMIDE
2(4((Z)(1(2chlorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)2ethoxyphenoxy)N(2phenylethyl)acetamide
2(4((Z)(1(2chlorophenyl)3methyl5oxopyrazol4ylidene)methyl)2ethoxyphenoxy)N(2phenylethyl)acetamide
355002005
CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3Cl)C)OCC(=O)NCCC4=CC=CC=C4
CCOc1cc(ccc1OCC(=O)NCCc1ccccc1)C=C1C(=NN(C1=O)c1ccccc1Cl)C
InChI=1SC29H28ClN3O4c1336271822(172320(2)3233(29(23)35)2512871124(25)30)131426(27)371928(34)3116152195461021h4141718H3151619H212H3(H3134)b2317
MFCD01921422
ZINC000008443643
ZINC08443643
ZINC8443643

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Available files

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