Vitas-M small molecule compound
methyl 2-[(6,6-dimethyl-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
STK722252
SMILES COC(=O)C(Sc1nc2sc3c(c2c(=O)n1c1ccccc1)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 C21H22N2O4S2 MW 430.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O4S2/c1-12(19(25)26-4)28-20-22-17-16(14-10-21(2,3)27-11-15(14)29-17)18(24)23(20)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3InChIKey
CMXFDWPJNKTELY-UHFFFAOYSA-NSynonyms
CC(C(=O)OC)SC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1C4=CC=CC=C4
InChI=1SC21H22N2O4S2c112(19(25)264)2820221716(141021(23)271115(14)2917)18(24)23(20)138657913h5912H1011H214H3
methyl2((66dimethyl4oxo3phenyl3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin2yl)sulfanyl)propanoate
methyl2((66dimethyl4oxo3phenyl4568tetrahydro3Hpyrano(4345)thieno(23d)pyrimidin2yl)thio)propanoate
methyl2((66dimethyl4oxo3phenyl58dihydropyrano(23)thieno(24b)pyrimidin2yl)sulfanyl)propanoate
MFCD02992517
ZINC000001247056
ZINC000001247057
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