Vitas-M small molecule compound
(4Z)-2-(1,3-benzothiazol-2-yl)-4-{[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL482279
SMILES O=C1N(N=C(/C/1=C/NC1CC(C)(C)NC(C1)(C)C)C(F)(F)F)c1nc2c(s1)cccc2
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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 C21H24F3N5OS MW 451.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24F3N5OS/c1-19(2)9-12(10-20(3,4)28-19)25-11-13-16(21(22,23)24)27-29(17(13)30)18-26-14-7-5-6-8-15(14)31-18/h5-8,11-12,25,28H,9-10H2,1-4H3/b13-11-InChIKey
NDZXGEYGHJQFCB-QBFSEMIESA-NSynonyms
(4Z)2(13benzothiazol2yl)4(((2266tetramethylpiperidin4yl)amino)methylidene)5(trifluoromethyl)24dihydro3Hpyrazol3one
(4Z)2(13benzothiazol2yl)4(((2266tetramethylpiperidin4yl)amino)methylidene)5(trifluoromethyl)pyrazol3one
CC1(CC(CC(N1)(C)C)NC=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F)C
InChI=1SC21H24F3N5OSc119(2)912(1020(34)2819)25111316(21(2223)24)2729(17(13)30)182614756815(14)3118h5811122528H910H214H3b1311
MFCD30713248
O=C1N(N=C(C1=CNC1CC(C)(C)NC(C1)(C)C)C(F)(F)F)c1nc2c(s1)cccc2
ZINC000107234560
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