Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(morpholin-4-yl)ethyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK061591
SMILES C/C(=C/1\C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/NCCN1CCOCC1
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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 C19H20F3N5O2S MW 439.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20F3N5O2S/c1-12(23-6-7-26-8-10-29-11-9-26)15-16(19(20,21)22)25-27(17(15)28)18-24-13-4-2-3-5-14(13)30-18/h2-5,23H,6-11H2,1H3/b15-12+InChIKey
RWCYXWGATQJRIK-NTCAYCPXSA-NSynonyms
353772-36-8(4E)2(13BENZOTHIAZOL2YL)4(1((2(MORPHOLIN4YL)ETHYL)AMINO)ETHYLIDENE)5(TRIFLUOROMETHYL)24DIHYDRO3HPYRAZOL3ONE
(4E)2(13BENZOTHIAZOL2YL)4(1(2MORPHOLIN4YLETHYLAMINO)ETHYLIDENE)5(TRIFLUOROMETHYL)PYRAZOL3ONE
(E)1(benzo(d)thiazol2yl)4(1((2morpholinoethyl)amino)ethylidene)3(trifluoromethyl)1Hpyrazol5(4H)one
353772368
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)NCCN4CCOCC4
CC(=C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)NCCN1CCOCC1
InChI=1SC19H20F3N5O2Sc112(2367268102911926)1516(19(2021)22)2527(17(15)28)182413423514(13)3018h2523H611H21H3b1512+
MFCD01810992
STK061591
ZINC000015930146
ZINC15930146
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