Vitas-M small molecule compound
(4Z)-4-[3-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK177947
SMILES C#CCOc1ccc(cc1OC)/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 C21H18N2O3 MW 346.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O3/c1-4-12-26-19-11-10-16(14-20(19)25-3)13-18-15(2)22-23(21(18)24)17-8-6-5-7-9-17/h1,5-11,13-14H,12H2,2-3H3/b18-13-InChIKey
XDMUGGSDOZLKNG-AQTBWJFISA-NSynonyms
(4Z)4((3METHOXY4PROP2YNOXYPHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4Z)4(3METHOXY4(PROP2YN1YLOXY)BENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
C#CCOc1ccc(cc1OC)C=C1C(=NN(C1=O)c1ccccc1)C
CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OCC#C)OC)C3=CC=CC=C3
InChI=1SC21H18N2O3c14122619111016(1420(19)253)131815(2)2223(21(18)24)178657917h15111314H12H223H3b1813
MFCD01443279
ZINC000004704779
ZINC04704779
ZINC4704779
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