Vitas-M small molecule compound
2,2'-[(1-ethyl-1H-pyrazol-4-yl)methanediyl]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)
Catalog ID
STL393714
SMILES CCn1ncc(c1)C(C1=C(O)CC(CC1=O)(C)C)C1=C(O)CC(CC1=O)(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 C22H30N2O4 MW 386.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N2O4/c1-6-24-12-13(11-23-24)18(19-14(25)7-21(2,3)8-15(19)26)20-16(27)9-22(4,5)10-17(20)28/h11-12,18,25,27H,6-10H2,1-5H3InChIKey
SIYZSSGGKYGVCN-UHFFFAOYSA-NSynonyms
1005644-28-91005644289
2((1ethylpyrazol4yl)(2hydroxy44dimethyl6oxocyclohexen1yl)methyl)3hydroxy55dimethylcyclohex2en1one
22((1ETHYL1HPYRAZOL4YL)METHANEDIYL)BIS(3HYDROXY55DIMETHYLCYCLOHEX2EN1ONE)
CCN1C=C(C=N1)C(C2=C(CC(CC2=O)(C)C)O)C3=C(CC(CC3=O)(C)C)O
InChI=1SC22H30N2O4c16241213(112324)18(1914(25)721(23)815(19)26)2016(27)922(45)1017(20)28h1112182527H610H215H3
MFCD04136623
ZINC000002807843
ZINC02807843
ZINC2807843
Check stock
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Check stock on Vitas-MAvailable files
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