Vitas-M small molecule compound
(4Z)-4-{3-ethoxy-4-[(3-methylbenzyl)oxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK089168
SMILES CCOc1cc(ccc1OCc1cccc(c1)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 C27H26N2O3 MW 426.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O3/c1-4-31-26-17-21(13-14-25(26)32-18-22-10-8-9-19(2)15-22)16-24-20(3)28-29(27(24)30)23-11-6-5-7-12-23/h5-17H,4,18H2,1-3H3/b24-16-InChIKey
UKOGXBKIXPPTOS-JLPGSUDCSA-NSynonyms
(4Z)4((3ethoxy4((3methylphenyl)methoxy)phenyl)methylidene)5methyl2phenylpyrazol3one
(4Z)4(3ETHOXY4((3METHYLBENZYL)OXY)BENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)OCC4=CC=CC(=C4)C
CCOc1cc(ccc1OCc1cccc(c1)C)C=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC27H26N2O3c1431261721(131425(26)321822108919(2)1522)162420(3)2829(27(24)30)23116571223h517H418H213H3b2416
MFCD03183890
STK089168
ZINC000013894351
ZINC13894351
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