Vitas-M small molecule compound
N-ethyl-4-[2-({(E)-[1-(4-fluorophenyl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)ethyl]piperazine-1-carbothioamide
Catalog ID
STK766783
SMILES CCCC1=NN(C(=O)/C/1=C/NCCN1CCN(CC1)C(=S)NCC)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 C22H31FN6OS MW 446.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31FN6OS/c1-3-5-20-19(21(30)29(26-20)18-8-6-17(23)7-9-18)16-24-10-11-27-12-14-28(15-13-27)22(31)25-4-2/h6-9,16,24H,3-5,10-15H2,1-2H3,(H,25,31)/b19-16+InChIKey
HWYSJKWJBBJKSX-KNTRCKAVSA-NSynonyms
CCCC1=NN(C(=O)C1=CNCCN1CCN(CC1)C(=S)NCC)c1ccc(cc1)F
CCCC1=NN(C(=O)C1=CNCCN2CCN(CC2)C(=S)NCC)C3=CC=C(C=C3)F
InChI=1SC22H31FN6OSc1352019(21(30)29(2620)188617(23)7918)1624101127121428(151327)22(31)2542h691624H351015H212H3(H2531)b1916+
MFCD03036287
Nethyl4(2(((E)(1(4fluorophenyl)5oxo3propyl15dihydro4Hpyrazol4ylidene)methyl)amino)ethyl)piperazine1carbothioamide
NETHYL4(2(((E)(1(4FLUOROPHENYL)5OXO3PROPYLPYRAZOL4YLIDENE)METHYL)AMINO)ETHYL)PIPERAZINE1CARBOTHIOAMIDE
ZINC000096602834
ZINC96602834
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