Vitas-M small molecule compound
(2E,6E)-2,6-bis[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]cyclohexanone
Catalog ID
STK955914
SMILES O=C1/C(=C/c2c(C)nn(c2C)C)/CCC/C/1=C\c1c(C)nn(c1C)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 C20H26N4O MW 338.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N4O/c1-12-18(14(3)23(5)21-12)10-16-8-7-9-17(20(16)25)11-19-13(2)22-24(6)15(19)4/h10-11H,7-9H2,1-6H3/b16-10+,17-11+InChIKey
YXGRBFUIUGRTAP-OTYYAQKOSA-NSynonyms
512807-58-8(2E6E)26bis((135trimethyl1Hpyrazol4yl)methylidene)cyclohexanone
(2E6E)26BIS((135TRIMETHYLPYRAZOL4YL)METHYLIDENE)CYCLOHEXAN1ONE
512807588
CC1=C(C(=NN1C)C)C=C2CCCC(=CC3=C(N(N=C3C)C)C)C2=O
InChI=1SC20H26N4Oc11218(14(3)23(5)2112)101687917(20(16)25)111913(2)2224(6)15(19)4h1011H79H216H3b1610+1711+
MFCD03074162
O=C1C(=Cc2c(C)nn(c2C)C)CCCC1=Cc1c(C)nn(c1C)C
ZINC000004501427
ZINC39440394
ZINC4501427
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