Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(4-fluorophenyl)ethyl]amino}ethylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK149853
SMILES Fc1ccc(cc1)CCN/C(=C/1\C(=NN(C1=O)c1nc2c(s1)cccc2)C)/C
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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/c1-13(23-12-11-15-7-9-16(22)10-8-15)19-14(2)25-26(20(19)27)21-24-17-5-3-4-6-18(17)28-21/h3-10,23H,11-12H2,1-2H3/b19-13+InChIKey
OXCVNCNTECJPTG-CPNJWEJPSA-NSynonyms
(4E)2(13BENZOTHIAZOL2YL)4(1((2(4FLUOROPHENYL)ETHYL)AMINO)ETHYLIDENE)5METHYL24DIHYDRO3HPYRAZOL3ONE
(4E)2(13BENZOTHIAZOL2YL)4(1(2(4FLUOROPHENYL)ETHYLAMINO)ETHYLIDENE)5METHYLPYRAZOL3ONE
(E)1(benzo(d)thiazol2yl)4(1((4fluorophenethyl)amino)ethylidene)3methyl1Hpyrazol5(4H)one
1BENZOTHIAZOL2YL4(((2(4FLUOROPHENYL)ETHYL)AMINO)ETHYLIDENE)3METHYL12DIAZOLIN5ONE
CC1=NN(C(=O)C1=C(C)NCCC2=CC=C(C=C2)F)C3=NC4=CC=CC=C4S3
Fc1ccc(cc1)CCNC(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)C)C
InChI=1SC21H19FN4OSc113(231211157916(22)10815)1914(2)2526(20(19)27)212417534618(17)2821h31023H1112H212H3b1913+
MFCD03778753
ZINC000004679128
ZINC04679128
ZINC4679128
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