Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-4-(1-{[3-(morpholin-4-yl)propyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK977124
SMILES C/C(=C\1/C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/NCCCN1CCOCC1
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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 C20H22F3N5O2S MW 453.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22F3N5O2S/c1-13(24-7-4-8-27-9-11-30-12-10-27)16-17(20(21,22)23)26-28(18(16)29)19-25-14-5-2-3-6-15(14)31-19/h2-3,5-6,24H,4,7-12H2,1H3/b16-13-InChIKey
YRYACSYHFANNIB-SSZFMOIBSA-NSynonyms
(4Z)2(13benzothiazol2yl)4(1((3(morpholin4yl)propyl)amino)ethylidene)5(trifluoromethyl)24dihydro3Hpyrazol3one
(4Z)2(13BENZOTHIAZOL2YL)4(1(3MORPHOLIN4YLPROPYLAMINO)ETHYLIDENE)5(TRIFLUOROMETHYL)PYRAZOL3ONE
(E)1(benzo(d)thiazol2yl)4(1((3morpholinopropyl)amino)ethylidene)3(trifluoromethyl)1Hpyrazol5(4H)one
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)NCCCN4CCOCC4
CC(=C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)NCCCN1CCOCC1
InChI=1SC20H22F3N5O2Sc113(247482791130121027)1617(20(2122)23)2628(18(16)29)192514523615(14)3119h235624H4712H21H3b1613
MFCD02325667
ZINC000100580779
ZINC100580779
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