Vitas-M small molecule compound
methyl {[3-(2-methylphenyl)-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Catalog ID
STK722292
SMILES COC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccccc1C)CC(OC3)C(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 C22H24N2O4S2 MW 444.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O4S2/c1-12(2)16-9-14-17(10-28-16)30-20-19(14)21(26)24(15-8-6-5-7-13(15)3)22(23-20)29-11-18(25)27-4/h5-8,12,16H,9-11H2,1-4H3InChIKey
CZANBGUVNHXQPT-UHFFFAOYSA-NSynonyms
CC1=CC=CC=C1N2C(=O)C3=C(N=C2SCC(=O)OC)SC4=C3CC(OC4)C(C)C
InChI=1SC22H24N2O4S2c112(2)1691417(102816)302019(14)21(26)24(15865713(15)3)22(2320)291118(25)274h581216H911H214H3
methyl((3(2methylphenyl)4oxo6(propan2yl)3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin2yl)sulfanyl)acetate
methyl2((3(2methylphenyl)4oxo6propan2yl68dihydro5Hpyrano(23)thieno(24b)pyrimidin2yl)sulfanyl)acetate
methyl2((6isopropyl4oxo3(otolyl)4568tetrahydro3Hpyrano(4345)thieno(23d)pyrimidin2yl)thio)acetate
MFCD02989005
ZINC000001306466
ZINC000001306467
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