Vitas-M small molecule compound
1-(1,3-benzodioxol-5-yl)-2-{[6-(4-cyclohexylphenyl)pyridazin-3-yl]sulfanyl}ethanone
Catalog ID
STL074211
SMILES O=C(c1ccc2c(c1)OCO2)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 C25H24N2O3S MW 432.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N2O3S/c28-22(20-10-12-23-24(14-20)30-16-29-23)15-31-25-13-11-21(26-27-25)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h6-14,17H,1-5,15-16H2InChIKey
OTBVWVXAXSMSCB-UHFFFAOYSA-NSynonyms
1(13benzodioxol5yl)2((6(4cyclohexylphenyl)pyridazin3yl)sulfanyl)ethanone
1(13benzodioxol5yl)2(6(4cyclohexylphenyl)pyridazin3yl)sulfanylethanone
C1CCC(CC1)C2=CC=C(C=C2)C3=NN=C(C=C3)SCC(=O)C4=CC5=C(C=C4)OCO5
InChI=1SC25H24N2O3Sc2822(2010122324(1420)30162923)153125131121(262725)198618(7919)174213517h61417H151516H2
MFCD18195605
ZINC000057486334
ZINC57486334
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