Vitas-M small molecule compound
1-[3,5-bis(benzylamino)-1H-1,2,4-triazol-1-yl]-2-(4-chlorophenoxy)ethanone
Catalog ID
STK187570
SMILES Clc1ccc(cc1)OCC(=O)n1nc(nc1NCc1ccccc1)NCc1ccccc1
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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 C24H22ClN5O2 MW 447.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22ClN5O2/c25-20-11-13-21(14-12-20)32-17-22(31)30-24(27-16-19-9-5-2-6-10-19)28-23(29-30)26-15-18-7-3-1-4-8-18/h1-14H,15-17H2,(H2,26,27,28,29)InChIKey
UKFNPPUWXONWNW-UHFFFAOYSA-NSynonyms
1(35bis(benzylamino)124triazol1yl)2(4chlorophenoxy)ethanone
1(35BIS(BENZYLAMINO)1H124TRIAZOL1YL)2(4CHLOROPHENOXY)ETHANONE
C1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=CC=C3)C(=O)COC4=CC=C(C=C4)Cl
InChI=1SC24H22ClN5O2c2520111321(141220)321722(31)3024(27161995261019)2823(2930)2615187314818h114H1517H2(H226272829)
MFCD06664549
ZINC000009907503
ZINC09907503
ZINC9907503
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