Vitas-M small molecule compound
(4Z)-4-[3-methoxy-4-(3-phenoxypropoxy)benzylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK062047
SMILES COc1cc(ccc1OCCCOc1ccccc1)/C=C\1/C(=NN(C1=O)c1ccccc1)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 C27H26N2O4 MW 442.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O4/c1-20-24(27(30)29(28-20)22-10-5-3-6-11-22)18-21-14-15-25(26(19-21)31-2)33-17-9-16-32-23-12-7-4-8-13-23/h3-8,10-15,18-19H,9,16-17H2,1-2H3/b24-18-InChIKey
IMIAVEGYADITRV-MOHJPFBDSA-NSynonyms
(4Z)4((3METHOXY4(3PHENOXYPROPOXY)PHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4Z)4(3METHOXY4(3PHENOXYPROPOXY)BENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OCCCOC3=CC=CC=C3)OC)C4=CC=CC=C4
COc1cc(ccc1OCCCOc1ccccc1)C=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC27H26N2O4c12024(27(30)29(2820)22105361122)1821141525(26(1921)312)33179163223127481323h3810151819H91617H212H3b2418
MFCD03183877
STK062047
ZINC000013897007
ZINC13897007
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