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 acetate
Catalog ID
STK731211
SMILES COc1ccc(cc1)C1CC(=NN1C(=O)/C=C/c1ccccc1)c1cc(Cl)ccc1OC(=O)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 C27H23ClN2O4 MW 474.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClN2O4/c1-18(31)34-26-14-11-21(28)16-23(26)24-17-25(20-9-12-22(33-2)13-10-20)30(29-24)27(32)15-8-19-6-4-3-5-7-19/h3-16,25H,17H2,1-2H3/b15-8+InChIKey
WBFMLUYAOHBMTB-OVCLIPMQSA-NSynonyms
847378-16-9(4CHLORO2(3(4METHOXYPHENYL)2((E)3PHENYLPROP2ENOYL)34DIHYDROPYRAZOL5YL)PHENYL)ACETATE
(E)4chloro2(1cinnamoyl5(4methoxyphenyl)45dihydro1Hpyrazol3yl)phenylacetate
4chloro2(5(4methoxyphenyl)1((2E)3phenylprop2enoyl)45dihydro1Hpyrazol3yl)phenylacetate
847378169
CC(=O)OC1=C(C=C(C=C1)Cl)C2=NN(C(C2)C3=CC=C(C=C3)OC)C(=O)C=CC4=CC=CC=C4
COc1ccc(cc1)C1CC(=NN1C(=O)C=Cc1ccccc1)c1cc(Cl)ccc1OC(=O)C
InChI=1SC27H23ClN2O4c118(31)3426141121(28)1623(26)241725(2091222(332)131020)30(2924)27(32)158196435719h31625H17H212H3b158+
MFCD04181441
ZINC000009159053
ZINC000009159054
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