Vitas-M small molecule compound
(4E)-2-(1,3-benzothiazol-2-yl)-4-[1-({2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl}amino)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK868463
SMILES O=C(N1CCN(CC1)CCN/C(=C\1/C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/C)C(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 C23H27F3N6O2S MW 508.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27F3N6O2S/c1-14(2)20(33)31-12-10-30(11-13-31)9-8-27-15(3)18-19(23(24,25)26)29-32(21(18)34)22-28-16-6-4-5-7-17(16)35-22/h4-7,14,27H,8-13H2,1-3H3/b18-15+InChIKey
JJELHJPDANNJHQ-OBGWFSINSA-NSynonyms
(4E)2(13benzothiazol2yl)4(1((2(4(2methylpropanoyl)piperazin1yl)ethyl)amino)ethylidene)5(trifluoromethyl)24dihydro3Hpyrazol3one
(4E)2(13BENZOTHIAZOL2YL)4(1(2(4(2METHYLPROPANOYL)PIPERAZIN1YL)ETHYLAMINO)ETHYLIDENE)5(TRIFLUOROMETHYL)PYRAZOL3ONE
(E)1(benzo(d)thiazol2yl)4(1((2(4isobutyrylpiperazin1yl)ethyl)amino)ethylidene)3(trifluoromethyl)1Hpyrazol5(4H)one
2(13BENZOTHIAZOL2YL)4(1((2(4ISOBUTYRYL1PIPERAZINYL)ETHYL)AMINO)ETHYLIDENE)5(TRIFLUOROMETHYL)24DIHYDRO3HPYRAZOL3ONE
CC(C)C(=O)N1CCN(CC1)CCNC(=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F)C
InChI=1SC23H27F3N6O2Sc114(2)20(33)31121030(111331)982715(3)1819(23(2425)26)2932(21(18)34)222816645717(16)3522h471427H813H213H3b1815+
MFCD02215731
O=C(N1CCN(CC1)CCNC(=C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)C)C(C)C
ZINC000000719680
ZINC00719680
ZINC719680
Check stock
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Check stock on Vitas-MAvailable files
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