Vitas-M small molecule compound
(4Z)-5-{[(4-methylphenyl)sulfanyl]methyl}-2-phenyl-4-({1-phenyl-3-[4-(prop-2-en-1-yloxy)phenyl]-1H-pyrazol-4-yl}methylidene)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK706499
SMILES C=CCOc1ccc(cc1)c1nn(cc1/C=C\1/C(=NN(C1=O)c1ccccc1)CSc1ccc(cc1)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 C36H30N4O2S MW 582.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H30N4O2S/c1-3-22-42-31-18-16-27(17-19-31)35-28(24-39(38-35)29-10-6-4-7-11-29)23-33-34(25-43-32-20-14-26(2)15-21-32)37-40(36(33)41)30-12-8-5-9-13-30/h3-21,23-24H,1,22,25H2,2H3/b33-23-InChIKey
YTQUHVOPVGPHON-SNCSUOKWSA-NSynonyms
(4Z)5(((4methylphenyl)sulfanyl)methyl)2phenyl4((1phenyl3(4(prop2en1yloxy)phenyl)1Hpyrazol4yl)methylidene)24dihydro3Hpyrazol3one
(4Z)5((4METHYLPHENYL)SULFANYLMETHYL)2PHENYL4((1PHENYL3(4PROP2ENOXYPHENYL)PYRAZOL4YL)METHYLIDENE)PYRAZOL3ONE
(E)4((3(4(allyloxy)phenyl)1phenyl1Hpyrazol4yl)methylene)1phenyl3((ptolylthio)methyl)1Hpyrazol5(4H)one
C=CCOc1ccc(cc1)c1nn(cc1C=C1C(=NN(C1=O)c1ccccc1)CSc1ccc(cc1)C)c1ccccc1
CC1=CC=C(C=C1)SCC2=NN(C(=O)C2=CC3=CN(N=C3C4=CC=C(C=C4)OCC=C)C5=CC=CC=C5)C6=CC=CC=C6
InChI=1SC36H30N4O2Sc13224231181627(171931)3528(2439(3835)29106471129)233334(254332201426(2)152132)3740(36(33)41)30128591330h3212324H12225H22H3b3323
MFCD03463670
ZINC000097947139
ZINC97947139
Check stock
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Check stock on Vitas-MAvailable files
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