Vitas-M small molecule compound

cyclohexyl[5-{[4-(diethylamino)benzyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]methanone

Catalog ID
STK227692
SMILES CCN(c1ccc(cc1)CNc1nc(nn1C(=O)C1CCCCC1)c1cccnc1)CC

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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 C25H32N6O MW 432.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N6O/c1-3-30(4-2)22-14-12-19(13-15-22)17-27-25-28-23(21-11-8-16-26-18-21)29-31(25)24(32)20-9-6-5-7-10-20/h8,11-16,18,20H,3-7,9-10,17H2,1-2H3,(H,27,28,29)
InChIKey
LVXCQAZKAGHJIK-UHFFFAOYSA-N
Synonyms

CCN(CC)C1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C3CCCCC3)C4=CN=CC=C4
CYCLOHEXYL(5((4(DIETHYLAMINO)BENZYL)AMINO)3(PYRIDIN3YL)1H124TRIAZOL1YL)METHANONE
cyclohexyl(5((4(diethylamino)phenyl)methylamino)3pyridin3yl124triazol1yl)methanone
InChI=1SC25H32N6Oc1330(42)22141219(131522)1727252823(2111816261821)2931(25)24(32)2096571020h811161820H3791017H212H3(H272829)
MFCD08671777
ZINC000009288916
ZINC09288916
ZINC9288916

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.