Vitas-M small molecule compound
methyl 2-[(6-ethyl-6-methyl-4-oxo-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoate
Catalog ID
STK532591
SMILES COC(=O)C(Sc1nc2sc3c(c2c(=O)n1c1ccccc1)CC(OC3)(C)CC)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/c1-5-22(3)11-15-16(12-28-22)30-18-17(15)19(25)24(14-9-7-6-8-10-14)21(23-18)29-13(2)20(26)27-4/h6-10,13H,5,11-12H2,1-4H3InChIKey
DBDYWNDDMXPMDX-UHFFFAOYSA-NSynonyms
CCC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SC(C)C(=O)OC)C4=CC=CC=C4)C
InChI=1SC22H24N2O4S2c1522(3)111516(122822)301817(15)19(25)24(1497681014)21(2318)2913(2)20(26)274h61013H51112H214H3
methyl2((6ethyl6methyl4oxo3phenyl3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin2yl)sulfanyl)propanoate
methyl2((6ethyl6methyl4oxo3phenyl4568tetrahydro3Hpyrano(4345)thieno(23d)pyrimidin2yl)thio)propanoate
methyl2((6ethyl6methyl4oxo3phenyl58dihydropyrano(23)thieno(24b)pyrimidin2yl)sulfanyl)propanoate
MFCD02987192
ZINC000001302346
ZINC000001302349
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