Vitas-M small molecule compound
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-cyclohexyl-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STL233255
SMILES CC(C1OCc2c(C1)c1c(s2)nc(n(c1=O)C1CCCCC1)SCC(=O)c1ccc(cc1)Cl)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 C26H29ClN2O3S2 MW 517.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29ClN2O3S2/c1-15(2)21-12-19-22(13-32-21)34-24-23(19)25(31)29(18-6-4-3-5-7-18)26(28-24)33-14-20(30)16-8-10-17(27)11-9-16/h8-11,15,18,21H,3-7,12-14H2,1-2H3InChIKey
NQSLFMFHUXGERV-UHFFFAOYSA-NSynonyms
497241-26-62((2(4chlorophenyl)2oxoethyl)sulfanyl)3cyclohexyl6(propan2yl)3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin4one
2((2(4chlorophenyl)2oxoethyl)thio)3cyclohexyl6isopropyl56dihydro3Hpyrano(4345)thieno(23d)pyrimidin4(8H)one
2(2(4chlorophenyl)2oxoethyl)sulfanyl3cyclohexyl6propan2yl68dihydro5Hpyrano(23)thieno(24b)pyrimidin4one
497241266
CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)Cl)C5CCCCC5
InChI=1SC26H29ClN2O3S2c115(2)21121922(133221)342423(19)25(31)29(186435718)26(2824)331420(30)1681017(27)11916h811151821H371214H212H3
MFCD03300056
ZINC000002334596
ZINC000002334597
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