Vitas-M small molecule compound
ethyl 4-[({4-[2-({(E)-[1-(4-fluorophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]piperazin-1-yl}carbonothioyl)amino]benzoate
Catalog ID
STK678423
SMILES CCCC1=NN(C(=O)/C/1=C/NCCN1CCN(CC1)C(=S)Nc1ccc(cc1)C(=O)OCC)c1ccc(cc1)F
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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 C29H35FN6O3S MW 566.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35FN6O3S/c1-3-5-26-25(27(37)36(33-26)24-12-8-22(30)9-13-24)20-31-14-15-34-16-18-35(19-17-34)29(40)32-23-10-6-21(7-11-23)28(38)39-4-2/h6-13,20,31H,3-5,14-19H2,1-2H3,(H,32,40)/b25-20+InChIKey
JXKMAHPTQHMSAQ-LKUDQCMESA-NSynonyms
CCCC1=NN(C(=O)C1=CNCCN1CCN(CC1)C(=S)Nc1ccc(cc1)C(=O)OCC)c1ccc(cc1)F
CCCC1=NN(C(=O)C1=CNCCN2CCN(CC2)C(=S)NC3=CC=C(C=C3)C(=O)OCC)C4=CC=C(C=C4)F
ETHYL4(((4(2(((1(4FLUOROPHENYL)5OXO3PROPYL(12DIAZOLIN4YLIDENE))METHYL)AMINO)ETHYL)PIPERAZINYL)THIOXOMETHYL)AMINO)BENZOATE
ethyl4(((4(2(((E)(1(4fluorophenyl)5oxo3propyl15dihydro4Hpyrazol4ylidene)methyl)amino)ethyl)piperazin1yl)carbonothioyl)amino)benzoate
ETHYL4((4(2(((E)(1(4FLUOROPHENYL)5OXO3PROPYLPYRAZOL4YLIDENE)METHYL)AMINO)ETHYL)PIPERAZINE1CARBOTHIOYL)AMINO)BENZOATE
InChI=1SC29H35FN6O3Sc1352625(27(37)36(3326)2412822(30)91324)2031141534161835(191734)29(40)322310621(71123)28(38)3942h6132031H351419H212H3(H3240)b2520+
MFCD03034852
ZINC000100113958
ZINC100113958
Check stock
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Check stock on Vitas-MAvailable files
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