Vitas-M small molecule compound

(3E)-3-(2-{[(2-methoxyphenyl)amino](oxo)acetyl}hydrazinylidene)-N-[3-(trifluoromethyl)phenyl]butanamide

Catalog ID
STK056135
SMILES COc1ccccc1NC(=O)C(=O)N/N=C(/CC(=O)Nc1cccc(c1)C(F)(F)F)\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 C20H19F3N4O4 MW 436.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19F3N4O4/c1-12(10-17(28)24-14-7-5-6-13(11-14)20(21,22)23)26-27-19(30)18(29)25-15-8-3-4-9-16(15)31-2/h3-9,11H,10H2,1-2H3,(H,24,28)(H,25,29)(H,27,30)/b26-12+
InChIKey
APFQYCQPTNBGEO-RPPGKUMJSA-N
Synonyms

(3E)3(2(((2METHOXYPHENYL)AMINO)(OXO)ACETYL)HYDRAZINYLIDENE)N(3(TRIFLUOROMETHYL)PHENYL)BUTANAMIDE
CC(=NNC(=O)C(=O)NC1=CC=CC=C1OC)CC(=O)NC2=CC=CC(=C2)C(F)(F)F
COc1ccccc1NC(=O)C(=O)NN=C(CC(=O)Nc1cccc(c1)C(F)(F)F)C
InChI=1SC20H19F3N4O4c112(1017(28)241475613(1114)20(2122)23)262719(30)18(29)2515834916(15)312h3911H10H212H3(H2428)(H2529)(H2730)b2612+
MFCD00511586
N((1E)2METHYL3(N(3(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)1AZAPROP1ENYL)N(2METHOXYPHENYL)ETHANE12DIAMIDE
N(2methoxyphenyl)N((E)(4oxo4(3(trifluoromethyl)anilino)butan2ylidene)amino)oxamide
STK056135
ZINC000100522931
ZINC6013786

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.