Vitas-M small molecule compound

(2E,6E)-2,6-bis[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]cyclohexanone

Catalog ID
STK955942
SMILES O=C1/C(=C/c2c(C)nn(c2C)c2ccccc2)/CCC/C/1=C\c1c(C)nn(c1C)c1ccccc1

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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 C30H30N4O MW 462.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N4O/c1-20-28(22(3)33(31-20)26-14-7-5-8-15-26)18-24-12-11-13-25(30(24)35)19-29-21(2)32-34(23(29)4)27-16-9-6-10-17-27/h5-10,14-19H,11-13H2,1-4H3/b24-18+,25-19+
InChIKey
XRYIVTXKTASVRC-SIHVKLMXSA-N
Synonyms
496835-25-7
(2E6E)26bis((35dimethyl1phenyl1Hpyrazol4yl)methylidene)cyclohexanone
(2E6E)26BIS((35DIMETHYL1PHENYLPYRAZOL4YL)METHYLIDENE)CYCLOHEXAN1ONE
26BIS((35DIMETHYL1PHENYL1HPYRAZOL4YL)METHYLENE)CYCLOHEXANONE
496835257
CC1=C(C(=NN1C2=CC=CC=C2)C)C=C3CCCC(=CC4=C(N(N=C4C)C5=CC=CC=C5)C)C3=O
InChI=1SC30H30N4Oc12028(22(3)33(3120)26147581526)182412111325(30(24)35)192921(2)3234(23(29)4)271696101727h5101419H1113H214H3b2418+2519+
MFCD03074187
O=C1C(=Cc2c(C)nn(c2C)c2ccccc2)CCCC1=Cc1c(C)nn(c1C)c1ccccc1
ZINC000008454825
ZINC08454825
ZINC39440400
ZINC8454825

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Available files

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