Vitas-M small molecule compound
2-[(3,4-dichlorobenzyl)sulfanyl]-6,6-dimethyl-3-(2-methylprop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK833217
SMILES CC(=C)Cn1c(SCc2ccc(c(c2)Cl)Cl)nc2c(c1=O)c1CC(C)(C)OCc1s2
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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 C22H22Cl2N2O2S2 MW 481.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22Cl2N2O2S2/c1-12(2)9-26-20(27)18-14-8-22(3,4)28-10-17(14)30-19(18)25-21(26)29-11-13-5-6-15(23)16(24)7-13/h5-7H,1,8-11H2,2-4H3InChIKey
CSGMGXFYDZTDIY-UHFFFAOYSA-NSynonyms
328071-75-62((34dichlorobenzyl)sulfanyl)66dimethyl3(2methylprop2en1yl)3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin4one
2((34dichlorobenzyl)thio)66dimethyl3(2methylallyl)56dihydro3Hpyrano(4345)thieno(23d)pyrimidin4(8H)one
2((34dichlorophenyl)methylsulfanyl)66dimethyl3(2methylprop2enyl)58dihydropyrano(23)thieno(24b)pyrimidin4one
328071756
CC(=C)CN1C(=O)C2=C(N=C1SCC3=CC(=C(C=C3)Cl)Cl)SC4=C2CC(OC4)(C)C
InChI=1SC22H22Cl2N2O2S2c112(2)92620(27)1814822(34)281017(14)3019(18)2521(26)2911135615(23)16(24)713h57H1811H224H3
MFCD01558035
ZINC000012379187
ZINC12379187
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