Vitas-M small molecule compound
(4Z)-4-{3-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL418591
SMILES COc1cc(ccc1OCCOc1ccc(cc1)C)/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/c1-19-9-12-23(13-10-19)32-15-16-33-25-14-11-21(18-26(25)31-3)17-24-20(2)28-29(27(24)30)22-7-5-4-6-8-22/h4-14,17-18H,15-16H2,1-3H3/b24-17-InChIKey
CZVKKZVTHBTCRX-ULJHMMPZSA-NSynonyms
(4Z)4((3methoxy4(2(4methylphenoxy)ethoxy)phenyl)methylidene)5methyl2phenylpyrazol3one
(4Z)4(3methoxy4(2(4methylphenoxy)ethoxy)benzylidene)5methyl2phenyl24dihydro3Hpyrazol3one
CC1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)C=C3C(=NN(C3=O)C4=CC=CC=C4)C)OC
COc1cc(ccc1OCCOc1ccc(cc1)C)C=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC27H26N2O4c11991223(131019)3215163325141121(1826(25)313)172420(2)2829(27(24)30)227546822h4141718H1516H213H3b2417
MFCD01963774
ZINC000034864952
ZINC34864952
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