Vitas-M small molecule compound
(4Z)-4-{[3-(4-butoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK810363
SMILES CCCCOc1ccc(c(c1)C)c1nn(cc1/C=C\1/C(=NN(C1=O)c1ccccc1)C)c1ccccc1
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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 C31H30N4O2 MW 490.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4O2/c1-4-5-18-37-27-16-17-28(22(2)19-27)30-24(21-34(33-30)25-12-8-6-9-13-25)20-29-23(3)32-35(31(29)36)26-14-10-7-11-15-26/h6-17,19-21H,4-5,18H2,1-3H3/b29-20-InChIKey
LKOHQBOCRSXEHO-BRPDVVIDSA-NSynonyms
(4Z)4((3(4butoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylidene)5methyl2phenyl24dihydro3Hpyrazol3one
(4Z)4((3(4BUTOXY2METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
CCCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=NN(C3=O)C4=CC=CC=C4)C)C5=CC=CC=C5)C
CCCCOc1ccc(c(c1)C)c1nn(cc1C=C1C(=NN(C1=O)c1ccccc1)C)c1ccccc1
InChI=1SC31H30N4O2c145183727161728(22(2)1927)3024(2134(3330)25128691325)202923(3)3235(31(29)36)2614107111526h6171921H4518H213H3b2920
MFCD04505693
ZINC000016701053
ZINC16701053
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