Vitas-M small molecule compound
(2E)-1-{3,5-bis[(4-methoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}-3-(4-fluorophenyl)prop-2-en-1-one
Catalog ID
STK178843
SMILES COc1ccc(cc1)CNc1nn(c(n1)NCc1ccc(cc1)OC)C(=O)/C=C/c1ccc(cc1)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 C27H26FN5O3 MW 487.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26FN5O3/c1-35-23-12-5-20(6-13-23)17-29-26-31-27(30-18-21-7-14-24(36-2)15-8-21)33(32-26)25(34)16-9-19-3-10-22(28)11-4-19/h3-16H,17-18H2,1-2H3,(H2,29,30,31,32)/b16-9+InChIKey
TUJIHBZDZUTTBC-CXUHLZMHSA-NSynonyms
(2E)1(35BIS((4METHOXYBENZYL)AMINO)1H124TRIAZOL1YL)3(4FLUOROPHENYL)PROP2EN1ONE
(E)1(35bis((4methoxyphenyl)methylamino)124triazol1yl)3(4fluorophenyl)prop2en1one
COC1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=C(C=C3)OC)C(=O)C=CC4=CC=C(C=C4)F
COc1ccc(cc1)CNc1nn(c(n1)NCc1ccc(cc1)OC)C(=O)C=Cc1ccc(cc1)F
InChI=1SC27H26FN5O3c1352312520(61323)1729263127(30182171424(362)15821)33(3226)25(34)1691931022(28)11419h316H1718H212H3(H229303132)b169+
MFCD06663919
ZINC000009948484
ZINC09948484
ZINC9948484
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