Vitas-M small molecule compound

4-chloro-2-{5-(4-methoxyphenyl)-1-[(2E)-3-phenylprop-2-enoyl]-4,5-dihydro-1H-pyrazol-3-yl}phenyl (2E)-3-phenylprop-2-enoate

Catalog ID
STL069617
SMILES COc1ccc(cc1)C1CC(=NN1C(=O)/C=C/c1ccccc1)c1cc(Cl)ccc1OC(=O)/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 C34H27ClN2O4 MW 563.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H27ClN2O4/c1-40-28-17-14-26(15-18-28)31-23-30(36-37(31)33(38)20-12-24-8-4-2-5-9-24)29-22-27(35)16-19-32(29)41-34(39)21-13-25-10-6-3-7-11-25/h2-22,31H,23H2,1H3/b20-12+,21-13+
InChIKey
LPZBKIIVSREPOX-ZIOPAAQOSA-N
Synonyms

(4CHLORO2(3(4METHOXYPHENYL)2((E)3PHENYLPROP2ENOYL)34DIHYDROPYRAZOL5YL)PHENYL)(E)3PHENYLPROP2ENOATE
4chloro2(1cinnamoyl5(4methoxyphenyl)45dihydro1Hpyrazol3yl)phenylcinnamate
4chloro2(5(4methoxyphenyl)1((2E)3phenylprop2enoyl)45dihydro1Hpyrazol3yl)phenyl(2E)3phenylprop2enoate
COC1=CC=C(C=C1)C2CC(=NN2C(=O)C=CC3=CC=CC=C3)C4=C(C=CC(=C4)Cl)OC(=O)C=CC5=CC=CC=C5
COc1ccc(cc1)C1CC(=NN1C(=O)C=Cc1ccccc1)c1cc(Cl)ccc1OC(=O)C=Cc1ccccc1
InChI=1SC34H27ClN2O4c14028171426(151828)312330(3637(31)33(38)2012248425924)292227(35)161932(29)4134(39)211325106371125h22231H23H21H3b2012+2113+
MFCD05729988
ZINC000097968914
ZINC000097968915

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Available files

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