Vitas-M small molecule compound
1-{3,5-bis[(4-ethoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}-3-phenylpropan-1-one
Catalog ID
STK178972
SMILES CCOc1ccc(cc1)CNc1nc(n(n1)C(=O)CCc1ccccc1)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 C29H33N5O3 MW 499.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N5O3/c1-3-36-25-15-10-23(11-16-25)20-30-28-32-29(31-21-24-12-17-26(18-13-24)37-4-2)34(33-28)27(35)19-14-22-8-6-5-7-9-22/h5-13,15-18H,3-4,14,19-21H2,1-2H3,(H2,30,31,32,33)InChIKey
ZMTRBFNTMWCOAI-UHFFFAOYSA-NSynonyms
1(35BIS((4ETHOXYBENZYL)AMINO)1H124TRIAZOL1YL)3PHENYLPROPAN1ONE
1(35bis((4ethoxyphenyl)methylamino)124triazol1yl)3phenylpropan1one
CCOC1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=C(C=C3)OCC)C(=O)CCC4=CC=CC=C4
InChI=1SC29H33N5O3c133625151023(111625)2030283229(312124121726(181324)3742)34(3328)27(35)1914228657922h5131518H34141921H212H3(H230313233)
MFCD06664036
ZINC000009948633
ZINC09948633
ZINC9948633
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