Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(furan-2-ylmethyl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK868467
SMILES C/C(=C\1/C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/NCc1ccco1
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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 C18H13F3N4O2S MW 406.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13F3N4O2S/c1-10(22-9-11-5-4-8-27-11)14-15(18(19,20)21)24-25(16(14)26)17-23-12-6-2-3-7-13(12)28-17/h2-8,22H,9H2,1H3/b14-10-InChIKey
JZRCUXFUFIWVCD-UVTDQMKNSA-NSynonyms
(4Z)2(13benzothiazol2yl)4(1((furan2ylmethyl)amino)ethylidene)5(trifluoromethyl)24dihydro3Hpyrazol3one
(4Z)2(13BENZOTHIAZOL2YL)4(1(FURAN2YLMETHYLAMINO)ETHYLIDENE)5(TRIFLUOROMETHYL)PYRAZOL3ONE
(E)1(benzo(d)thiazol2yl)4(1((furan2ylmethyl)amino)ethylidene)3(trifluoromethyl)1Hpyrazol5(4H)one
CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F)NCC4=CC=CO4
CC(=C1C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)NCc1ccco1
InChI=1SC18H13F3N4O2Sc110(229115482711)1415(18(1920)21)2425(16(14)26)172312623713(12)2817h2822H9H21H3b1410
MFCD02210080
ZINC000100095456
ZINC100095456
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