Vitas-M small molecule compound
(4E)-2-(3,4-dimethylphenyl)-5-methyl-4-[(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-ylamino)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL295622
SMILES CC1=NN(C(=O)/C/1=C/N[C@]12CN3CN(C2)CN(C1)C3)c1ccc(c(c1)C)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 C20H26N6O MW 366.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N6O/c1-14-4-5-17(6-15(14)2)26-19(27)18(16(3)22-26)7-21-20-8-23-11-24(9-20)13-25(10-20)12-23/h4-7,21H,8-13H2,1-3H3/b18-7+InChIKey
NDZWCAJWUUJRNN-CNHKJKLMSA-NSynonyms
(4E)2(34dimethylphenyl)5methyl4((135triazatricyclo(3311~37~)dec7ylamino)methylidene)24dihydro3Hpyrazol3one
CC1=C(C=C(C=C1)N2C(=O)C(=CNC34CN5CN(C3)CN(C4)C5)C(=N2)C)C
CC1=NN(C(=O)C1=CN(C@)12CN3CN(C2)CN(C1)C3)c1ccc(c(c1)C)C
InChI=1SC20H26N6Oc1144517(615(14)2)2619(27)18(16(3)2226)721208231124(920)1325(1020)1223h4721H813H213H3b187+
ZINC000019324716
ZINC19324716
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