Vitas-M small molecule compound
ethyl {[8,8-dimethyl-3-(2-methylprop-2-en-1-yl)-4-oxo-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Catalog ID
STL328623
SMILES CCOC(=O)CSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1CC(=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 C20H25N3O4S MW 403.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O4S/c1-6-26-16(24)11-28-19-22-17-14(18(25)23(19)9-12(2)3)7-13-10-27-20(4,5)8-15(13)21-17/h7H,2,6,8-11H2,1,3-5H3InChIKey
FMNZJFVKZIABNZ-UHFFFAOYSA-NSynonyms
CCOC(=O)CSC1=NC2=NC3=C(COC(C3)(C)C)C=C2C(=O)N1CC(=C)C
ethyl((88dimethyl3(2methylprop2en1yl)4oxo3689tetrahydro4Hpyrano(3456)pyrido(23d)pyrimidin2yl)sulfanyl)acetate
ethyl2((88dimethyl3(2methylallyl)4oxo4689tetrahydro3Hpyrano(3456)pyrido(23d)pyrimidin2yl)thio)acetate
ethyl2((88dimethyl3(2methylprop2enyl)4oxo69dihydropyrano(34)pyrido(35b)pyrimidin2yl)sulfanyl)acetate
InChI=1SC20H25N3O4Sc162616(24)112819221714(18(25)23(19)912(2)3)713102720(45)815(13)2117h7H26811H2135H3
MFCD01558773
ZINC000005716958
ZINC05716958
ZINC5716958
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