Vitas-M small molecule compound
(5Z)-5-(2-chlorobenzylidene)-2-[4-(2-methylpropoxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK798364
SMILES CC(COc1ccc(cc1)c1nn2c(n1)s/c(=C\c1ccccc1Cl)/c2=O)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 C21H18ClN3O2S MW 411.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3O2S/c1-13(2)12-27-16-9-7-14(8-10-16)19-23-21-25(24-19)20(26)18(28-21)11-15-5-3-4-6-17(15)22/h3-11,13H,12H2,1-2H3/b18-11-InChIKey
XXOZLOMGIIHLRG-WQRHYEAKSA-NSynonyms
(5Z)5((2CHLOROPHENYL)METHYLIDENE)2(4(2METHYLPROPOXY)PHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(2chlorobenzylidene)2(4(2methylpropoxy)phenyl)(13)thiazolo(32b)(124)triazol6(5H)one
CC(C)COC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=CC=C4Cl)SC3=N2
CC(COc1ccc(cc1)c1nn2c(n1)sc(=Cc1ccccc1Cl)c2=O)C
InChI=1SC21H18ClN3O2Sc113(2)1227169714(81016)19232125(2419)20(26)18(2821)1115534617(15)22h31113H12H212H3b1811
MFCD03461950
ZINC000002665899
ZINC02665899
ZINC2665899
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