Vitas-M small molecule compound
(2E)-3-phenyl-1-[5-{[4-(propan-2-yl)benzyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]prop-2-en-1-one
Catalog ID
STK227647
SMILES CC(c1ccc(cc1)CNc1nc(nn1C(=O)/C=C/c1ccccc1)c1cccnc1)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 C26H25N5O MW 423.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O/c1-19(2)22-13-10-21(11-14-22)17-28-26-29-25(23-9-6-16-27-18-23)30-31(26)24(32)15-12-20-7-4-3-5-8-20/h3-16,18-19H,17H2,1-2H3,(H,28,29,30)/b15-12+InChIKey
OTHPTIFLZNLTGD-NTCAYCPXSA-NSynonyms
(2E)3PHENYL1(5((4(PROPAN2YL)BENZYL)AMINO)3(PYRIDIN3YL)1H124TRIAZOL1YL)PROP2EN1ONE
(E)3PHENYL1(5((4PROPAN2YLPHENYL)METHYLAMINO)3PYRIDIN3YL124TRIAZOL1YL)PROP2EN1ONE
CC(C)C1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C=CC3=CC=CC=C3)C4=CN=CC=C4
CC(c1ccc(cc1)CNc1nc(nn1C(=O)C=Cc1ccccc1)c1cccnc1)C
InChI=1SC26H25N5Oc119(2)22131021(111422)1728262925(239616271823)3031(26)24(32)1512207435820h3161819H17H212H3(H282930)b1512+
MFCD08671747
ZINC000004732503
ZINC04732503
ZINC4732503
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