Vitas-M small molecule compound
N'-[(E)-{4-methoxy-3-[(2,2,3,3-tetrafluoropropoxy)methyl]phenyl}methylidene]-1-benzothiophene-3-carbohydrazide
Catalog ID
STK429696
SMILES COc1ccc(cc1COCC(C(F)F)(F)F)/C=N/NC(=O)c1csc2c1cccc2
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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 C21H18F4N2O3S MW 454.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18F4N2O3S/c1-29-17-7-6-13(8-14(17)10-30-12-21(24,25)20(22)23)9-26-27-19(28)16-11-31-18-5-3-2-4-15(16)18/h2-9,11,20H,10,12H2,1H3,(H,27,28)/b26-9+InChIKey
YAFCHBGFJNVFNR-JQAMDZJQSA-NSynonyms
COC1=C(C=C(C=C1)C=NNC(=O)C2=CSC3=CC=CC=C32)COCC(C(F)F)(F)F
COc1ccc(cc1COCC(C(F)F)(F)F)C=NNC(=O)c1csc2c1cccc2
InChI=1SC21H18F4N2O3Sc129177613(814(17)10301221(2425)20(22)23)9262719(28)16113118532415(16)18h291120H1012H21H3(H2728)b269+
MFCD03234091
N((E)(4methoxy3((2233tetrafluoropropoxy)methyl)phenyl)methylidene)1benzothiophene3carbohydrazide
N((E)(4methoxy3(2233tetrafluoropropoxymethyl)phenyl)methylideneamino)1benzothiophene3carboxamide
ZINC000002730202
ZINC33752638
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