Vitas-M small molecule compound
1-[3,5-bis(benzylamino)-1H-1,2,4-triazol-1-yl]-2-phenoxypropan-1-one
Catalog ID
STK187572
SMILES O=C(n1nc(nc1NCc1ccccc1)NCc1ccccc1)C(Oc1ccccc1)C
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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 C25H25N5O2 MW 427.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N5O2/c1-19(32-22-15-9-4-10-16-22)23(31)30-25(27-18-21-13-7-3-8-14-21)28-24(29-30)26-17-20-11-5-2-6-12-20/h2-16,19H,17-18H2,1H3,(H2,26,27,28,29)InChIKey
GXCYJTPKHIIAAB-UHFFFAOYSA-NSynonyms
1(35bis(benzylamino)124triazol1yl)2phenoxypropan1one
1(35BIS(BENZYLAMINO)1H124TRIAZOL1YL)2PHENOXYPROPAN1ONE
CC(C(=O)N1C(=NC(=N1)NCC2=CC=CC=C2)NCC3=CC=CC=C3)OC4=CC=CC=C4
InChI=1SC25H25N5O2c119(32221594101622)23(31)3025(271821137381421)2824(2930)261720115261220h21619H1718H21H3(H226272829)
MFCD06664551
ZINC000009907505
ZINC000009907506
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