Vitas-M small molecule compound

2,2,2-trifluoro-N-{4-[(1E)-1-{2-[(3-methyl-1-benzofuran-2-yl)carbonyl]hydrazinylidene}ethyl]phenyl}acetamide

Catalog ID
STK465652
SMILES C/C(=N\NC(=O)c1oc2c(c1C)cccc2)/c1ccc(cc1)NC(=O)C(F)(F)F

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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 C20H16F3N3O3 MW 403.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16F3N3O3/c1-11-15-5-3-4-6-16(15)29-17(11)18(27)26-25-12(2)13-7-9-14(10-8-13)24-19(28)20(21,22)23/h3-10H,1-2H3,(H,24,28)(H,26,27)/b25-12+
InChIKey
FVOSFNHZCCTYFF-BRJLIKDPSA-N
Synonyms

222trifluoroN(4((1E)1(2((3methyl1benzofuran2yl)carbonyl)hydrazinylidene)ethyl)phenyl)acetamide
3methylN((E)1(4((222trifluoroacetyl)amino)phenyl)ethylideneamino)1benzofuran2carboxamide
CC(=NNC(=O)c1oc2c(c1C)cccc2)c1ccc(cc1)NC(=O)C(F)(F)F
CC1=C(OC2=CC=CC=C12)C(=O)NN=C(C)C3=CC=C(C=C3)NC(=O)C(F)(F)F
InChI=1SC20H16F3N3O3c11115534616(15)2917(11)18(27)262512(2)137914(10813)2419(28)20(2122)23h310H12H3(H2428)(H2627)b2512+
MFCD06759354
N(4((1E)1METHYL2((3METHYLBENZO(D)FURAN2YL)CARBONYLAMINO)2AZAVINYL)PHENYL)222TRIFLUOROACETAMIDE
ZINC000017082625
ZINC96438248

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Available files

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