Vitas-M small molecule compound
methyl 2-{[4-oxo-3-phenyl-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}propanoate
Catalog ID
STK532313
SMILES COC(=O)C(Sc1nc2sc3c(c2c(=O)n1c1ccccc1)CC(OC3)C(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)16-10-15-17(11-28-16)30-19-18(15)20(25)24(14-8-6-5-7-9-14)22(23-19)29-13(3)21(26)27-4/h5-9,12-13,16H,10-11H2,1-4H3InChIKey
XAWKSWXGTFLRTF-UHFFFAOYSA-NSynonyms
CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SC(C)C(=O)OC)C4=CC=CC=C4
InChI=1SC22H24N2O4S2c112(2)16101517(112816)301918(15)20(25)24(148657914)22(2319)2913(3)21(26)274h59121316H1011H214H3
methyl2((4oxo3phenyl6(propan2yl)3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin2yl)sulfanyl)propanoate
methyl2((4oxo3phenyl6propan2yl68dihydro5Hpyrano(23)thieno(24b)pyrimidin2yl)sulfanyl)propanoate
methyl2((6isopropyl4oxo3phenyl4568tetrahydro3Hpyrano(4345)thieno(23d)pyrimidin2yl)thio)propanoate
MFCD02991087
ZINC000001260257
ZINC000001260260
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