Vitas-M small molecule compound
methyl [(8,8-dimethyl-4-oxo-3-phenyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Catalog ID
STK722416
SMILES COC(=O)CSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1c1ccccc1
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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 C21H21N3O4S MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O4S/c1-21(2)10-16-13(11-28-21)9-15-18(22-16)23-20(29-12-17(25)27-3)24(19(15)26)14-7-5-4-6-8-14/h4-9H,10-12H2,1-3H3InChIKey
JSXYIJCYNRLCOX-UHFFFAOYSA-NSynonyms
351005-48-6351005486
CC1(CC2=C(CO1)C=C3C(=N2)N=C(N(C3=O)C4=CC=CC=C4)SCC(=O)OC)C
InChI=1SC21H21N3O4Sc121(2)101613(112821)91518(2216)2320(291217(25)273)24(19(15)26)147546814h49H1012H213H3
methyl((88dimethyl4oxo3phenyl3689tetrahydro4Hpyrano(3456)pyrido(23d)pyrimidin2yl)sulfanyl)acetate
methyl2((88dimethyl4oxo3phenyl4689tetrahydro3Hpyrano(3456)pyrido(23d)pyrimidin2yl)thio)acetate
methyl2((88dimethyl4oxo3phenyl69dihydropyrano(34)pyrido(35b)pyrimidin2yl)sulfanyl)acetate
MFCD01564401
ZINC000004785909
ZINC04785909
ZINC4785909
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