Vitas-M small molecule compound
1-[5-{[4-(benzyloxy)benzyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]-2,2-dimethylpropan-1-one
Catalog ID
STK227656
SMILES O=C(C(C)(C)C)n1nc(nc1NCc1ccc(cc1)OCc1ccccc1)c1cccnc1
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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 C26H27N5O2 MW 441.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N5O2/c1-26(2,3)24(32)31-25(29-23(30-31)21-10-7-15-27-17-21)28-16-19-11-13-22(14-12-19)33-18-20-8-5-4-6-9-20/h4-15,17H,16,18H2,1-3H3,(H,28,29,30)InChIKey
XPCSOUKKXZQYAV-UHFFFAOYSA-NSynonyms
1(5((4(BENZYLOXY)BENZYL)AMINO)3(PYRIDIN3YL)1H124TRIAZOL1YL)22DIMETHYLPROPAN1ONE
22dimethyl1(5((4phenylmethoxyphenyl)methylamino)3pyridin3yl124triazol1yl)propan1one
CC(C)(C)C(=O)N1C(=NC(=N1)C2=CN=CC=C2)NCC3=CC=C(C=C3)OCC4=CC=CC=C4
InChI=1SC26H27N5O2c126(23)24(32)3125(2923(3031)2110715271721)281619111322(141219)3318208546920h41517H1618H213H3(H282930)
MFCD08671755
ZINC000009288876
ZINC09288876
ZINC9288876
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