Vitas-M small molecule compound
(5Z)-5-(2-chloro-6-fluorobenzylidene)-2-[4-(2-methylpropoxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK812364
SMILES CC(COc1ccc(cc1)c1nc2n(n1)c(=O)/c(=C/c1c(F)cccc1Cl)/s2)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 C21H17ClFN3O2S MW 429.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClFN3O2S/c1-12(2)11-28-14-8-6-13(7-9-14)19-24-21-26(25-19)20(27)18(29-21)10-15-16(22)4-3-5-17(15)23/h3-10,12H,11H2,1-2H3/b18-10-InChIKey
IVGPFTXCIRKGSP-ZDLGFXPLSA-NSynonyms
(5Z)5((2CHLORO6FLUOROPHENYL)METHYLIDENE)2(4(2METHYLPROPOXY)PHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(2chloro6fluorobenzylidene)2(4(2methylpropoxy)phenyl)(13)thiazolo(32b)(124)triazol6(5H)one
CC(C)COC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=C(C=CC=C4Cl)F)SC3=N2
CC(COc1ccc(cc1)c1nc2n(n1)c(=O)c(=Cc1c(F)cccc1Cl)s2)C
InChI=1SC21H17ClFN3O2Sc112(2)1128148613(7914)19242126(2519)20(27)18(2921)101516(22)43517(15)23h31012H11H212H3b1810
MFCD06264995
ZINC000016728859
ZINC16728859
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