Vitas-M small molecule compound
1-{3,5-bis[(4-ethoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}-2-phenoxypropan-1-one
Catalog ID
STK179001
SMILES CCOc1ccc(cc1)CNc1nc(n(n1)C(=O)C(Oc1ccccc1)C)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 C29H33N5O4 MW 515.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N5O4/c1-4-36-24-15-11-22(12-16-24)19-30-28-32-29(31-20-23-13-17-25(18-14-23)37-5-2)34(33-28)27(35)21(3)38-26-9-7-6-8-10-26/h6-18,21H,4-5,19-20H2,1-3H3,(H2,30,31,32,33)InChIKey
XDLHGFKQRQGTJB-UHFFFAOYSA-NSynonyms
1(35BIS((4ETHOXYBENZYL)AMINO)1H124TRIAZOL1YL)2PHENOXYPROPAN1ONE
1(35bis((4ethoxyphenyl)methylamino)124triazol1yl)2phenoxypropan1one
CCOC1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=C(C=C3)OCC)C(=O)C(C)OC4=CC=CC=C4
InChI=1SC29H33N5O4c143624151122(121624)1930283229(312023131725(181423)3752)34(3328)27(35)21(3)382697681026h61821H451920H213H3(H230313233)
MFCD06664063
ZINC000009948656
ZINC000009948657
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