Vitas-M small molecule compound
2-{[6-(4-cyclohexylphenyl)pyridazin-3-yl]sulfanyl}-1-(3,4-dimethoxyphenyl)ethanone
Catalog ID
STL074217
SMILES COc1cc(ccc1OC)C(=O)CSc1ccc(nn1)c1ccc(cc1)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 C26H28N2O3S MW 448.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O3S/c1-30-24-14-12-21(16-25(24)31-2)23(29)17-32-26-15-13-22(27-28-26)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h8-16,18H,3-7,17H2,1-2H3InChIKey
XPKHDKICBJQJQM-UHFFFAOYSA-NSynonyms
2((6(4cyclohexylphenyl)pyridazin3yl)sulfanyl)1(34dimethoxyphenyl)ethanone
2(6(4cyclohexylphenyl)pyridazin3yl)sulfanyl1(34dimethoxyphenyl)ethanone
COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)C4CCCCC4)OC
InChI=1SC26H28N2O3Sc13024141221(1625(24)312)23(29)173226151322(272826)2010819(91120)186435718h81618H3717H212H3
MFCD18195611
ZINC000057486340
ZINC57486340
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