Vitas-M small molecule compound
ethyl {[8,8-dimethyl-3-(4-methylphenyl)-4-oxo-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Catalog ID
STK543860
SMILES CCOC(=O)CSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1c1ccc(cc1)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 C23H25N3O4S MW 439.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O4S/c1-5-29-19(27)13-31-22-25-20-17(10-15-12-30-23(3,4)11-18(15)24-20)21(28)26(22)16-8-6-14(2)7-9-16/h6-10H,5,11-13H2,1-4H3InChIKey
OTMDFLXDZDTLDW-UHFFFAOYSA-NSynonyms
500105-02-2500105022
CCOC(=O)CSC1=NC2=NC3=C(COC(C3)(C)C)C=C2C(=O)N1C4=CC=C(C=C4)C
ethyl((88dimethyl3(4methylphenyl)4oxo3689tetrahydro4Hpyrano(3456)pyrido(23d)pyrimidin2yl)sulfanyl)acetate
ethyl2((88dimethyl3(4methylphenyl)4oxo69dihydropyrano(34)pyrido(35b)pyrimidin2yl)sulfanyl)acetate
ethyl2((88dimethyl4oxo3(ptolyl)4689tetrahydro3Hpyrano(3456)pyrido(23d)pyrimidin2yl)thio)acetate
InChI=1SC23H25N3O4Sc152919(27)133122252017(1015123023(34)1118(15)2420)21(28)26(22)168614(2)7916h610H51113H214H3
MFCD03304081
ZINC000002357676
ZINC02357676
ZINC2357676
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