Vitas-M small molecule compound
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]propanoic acid
Catalog ID
STK722442
SMILES OC(=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 C20H20N2O4S2 MW 416.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O4S2/c1-11(18(24)25)27-19-21-16-15(13-9-20(2,3)26-10-14(13)28-16)17(23)22(19)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,24,25)InChIKey
XIBPAALIVVVJHR-UHFFFAOYSA-NSynonyms
2((66dimethyl4oxo3phenyl3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin2yl)sulfanyl)propanoicacid
2((66dimethyl4oxo3phenyl4568tetrahydro3Hpyrano(4345)thieno(23d)pyrimidin2yl)thio)propanoicacid
2((66dimethyl4oxo3phenyl58dihydropyrano(23)thieno(24b)pyrimidin2yl)sulfanyl)propanoicacid
CC(C(=O)O)SC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1C4=CC=CC=C4
InChI=1SC20H20N2O4S2c111(18(24)25)2719211615(13920(23)261014(13)2816)17(23)22(19)127546812h4811H910H213H3(H2425)
MFCD00840838
ZINC000004811786
ZINC000004811787
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