Vitas-M small molecule compound
2-{[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]methylidene}-5,5-dimethylcyclohexane-1,3-dione
Catalog ID
STK898847
SMILES Fc1cc(F)c2c(c1)sc(n2)NC=C1C(=O)CC(CC1=O)(C)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 C16H14F2N2O2S MW 336.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14F2N2O2S/c1-16(2)5-11(21)9(12(22)6-16)7-19-15-20-14-10(18)3-8(17)4-13(14)23-15/h3-4,7H,5-6H2,1-2H3,(H,19,20)InChIKey
IWYBMEMRRHLOJX-UHFFFAOYSA-NSynonyms
2(((46difluoro13benzothiazol2yl)amino)methylidene)55dimethylcyclohexane13dione
CC1(CC(=O)C(=CNC2=NC3=C(C=C(C=C3S2)F)F)C(=O)C1)C
InChI=1SC16H14F2N2O2Sc116(2)511(21)9(12(22)616)71915201410(18)38(17)413(14)2315h347H56H212H3(H1920)
MFCD18173172
ZINC000044835304
ZINC44835304
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