Vitas-M small molecule compound
methyl 2-{[3-(3-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}propanoate
Catalog ID
STK721064
SMILES COC(=O)C(Sc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)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 C23H26N2O4S2 MW 458.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O4S2/c1-12(2)17-10-16-18(11-29-17)31-20-19(16)21(26)25(15-8-6-7-13(3)9-15)23(24-20)30-14(4)22(27)28-5/h6-9,12,14,17H,10-11H2,1-5H3InChIKey
MEDXGTQCJNGSSP-UHFFFAOYSA-NSynonyms
385390-38-5385390385
CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SC(C)C(=O)OC)SC4=C3CC(OC4)C(C)C
InChI=1SC23H26N2O4S2c112(2)17101618(112917)312019(16)21(26)25(1586713(3)915)23(2420)3014(4)22(27)285h69121417H1011H215H3
methyl2((3(3methylphenyl)4oxo6(propan2yl)3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin2yl)sulfanyl)propanoate
methyl2((3(3methylphenyl)4oxo6propan2yl68dihydro5Hpyrano(23)thieno(24b)pyrimidin2yl)sulfanyl)propanoate
methyl2((6isopropyl4oxo3(mtolyl)4568tetrahydro3Hpyrano(4345)thieno(23d)pyrimidin2yl)thio)propanoate
MFCD03285665
ZINC000001248632
ZINC000001248635
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