Vitas-M small molecule compound
(4Z)-2-(2,4-dimethylphenyl)-4-[3-ethoxy-4-(prop-2-yn-1-yloxy)benzylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK386296
SMILES CCOc1cc(ccc1OCC#C)/C=C\1/C(=NN(C1=O)c1ccc(cc1C)C)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 C24H24N2O3 MW 388.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N2O3/c1-6-12-29-22-11-9-19(15-23(22)28-7-2)14-20-18(5)25-26(24(20)27)21-10-8-16(3)13-17(21)4/h1,8-11,13-15H,7,12H2,2-5H3/b20-14-InChIKey
JLKTVWZOVIIHBJ-ZHZULCJRSA-NSynonyms
(4Z)2(24dimethylphenyl)4((3ethoxy4prop2ynoxyphenyl)methylidene)5methylpyrazol3one
(4Z)2(24DIMETHYLPHENYL)4(3ETHOXY4(PROP2YN1YLOXY)BENZYLIDENE)5METHYL24DIHYDRO3HPYRAZOL3ONE
CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=C(C=C(C=C3)C)C)C)OCC#C
CCOc1cc(ccc1OCC#C)C=C1C(=NN(C1=O)c1ccc(cc1C)C)C
InChI=1SC24H24N2O3c1612292211919(1523(22)2872)142018(5)2526(24(20)27)2110816(3)1317(21)4h18111315H712H225H3b2014
MFCD11853419
ZINC000023402570
ZINC23402570
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