Vitas-M small molecule compound
(2E)-1-{3,5-bis[(4-ethoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}-3-(4-fluorophenyl)prop-2-en-1-one
Catalog ID
STK178985
SMILES CCOc1ccc(cc1)CNc1nc(n(n1)C(=O)/C=C/c1ccc(cc1)F)NCc1ccc(cc1)OCC
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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 C29H30FN5O3 MW 515.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30FN5O3/c1-3-37-25-14-7-22(8-15-25)19-31-28-33-29(32-20-23-9-16-26(17-10-23)38-4-2)35(34-28)27(36)18-11-21-5-12-24(30)13-6-21/h5-18H,3-4,19-20H2,1-2H3,(H2,31,32,33,34)/b18-11+InChIKey
RRSPJPHPHYCPGT-WOJGMQOQSA-NSynonyms
(2E)1(35BIS((4ETHOXYBENZYL)AMINO)1H124TRIAZOL1YL)3(4FLUOROPHENYL)PROP2EN1ONE
(E)1(35bis((4ethoxyphenyl)methylamino)124triazol1yl)3(4fluorophenyl)prop2en1one
CCOC1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=C(C=C3)OCC)C(=O)C=CC4=CC=C(C=C4)F
CCOc1ccc(cc1)CNc1nc(n(n1)C(=O)C=Cc1ccc(cc1)F)NCc1ccc(cc1)OCC
InChI=1SC29H30FN5O3c13372514722(81525)1931283329(32202391626(171023)3842)35(3428)27(36)18112151224(30)13621h518H341920H212H3(H231323334)b1811+
MFCD06664047
ZINC000009948647
ZINC09948647
ZINC9948647
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