Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(3-fluorophenyl)amino]ethylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK056374
SMILES CCCC1=NN(C(=O)/C/1=C(/Nc1cccc(c1)F)\C)c1nc2c(s1)cccc2
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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 C21H19FN4OS MW 394.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19FN4OS/c1-3-7-17-19(13(2)23-15-9-6-8-14(22)12-15)20(27)26(25-17)21-24-16-10-4-5-11-18(16)28-21/h4-6,8-12,23H,3,7H2,1-2H3/b19-13+InChIKey
JBDKOWNFTKQIAG-CPNJWEJPSA-NSynonyms
(4E)2(13BENZOTHIAZOL2YL)4(1((3FLUOROPHENYL)AMINO)ETHYLIDENE)5PROPYL24DIHYDRO3HPYRAZOL3ONE
(4E)2(13BENZOTHIAZOL2YL)4(1(3FLUOROANILINO)ETHYLIDENE)5PROPYLPYRAZOL3ONE
(E)1(benzo(d)thiazol2yl)4(1((3fluorophenyl)amino)ethylidene)3propyl1Hpyrazol5(4H)one
CCCC1=NN(C(=O)C1=C(C)NC2=CC(=CC=C2)F)C3=NC4=CC=CC=C4S3
CCCC1=NN(C(=O)C1=C(Nc1cccc(c1)F)C)c1nc2c(s1)cccc2
InChI=1SC21H19FN4OSc1371719(13(2)231596814(22)1215)20(27)26(2517)21241610451118(16)2821h4681223H37H212H3b1913+
MFCD01944492
STK056374
ZINC000013765713
ZINC13765713
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