Vitas-M small molecule compound
methyl [(3-benzyl-8-ethyl-8-methyl-4-oxo-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Catalog ID
STK830940
SMILES COC(=O)CSc1nc2nc3CC(C)(CC)OCc3cc2c(=O)n1Cc1ccccc1
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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/c1-4-23(2)11-18-16(13-30-23)10-17-20(24-18)25-22(31-14-19(27)29-3)26(21(17)28)12-15-8-6-5-7-9-15/h5-10H,4,11-14H2,1-3H3InChIKey
RFWSFBKMUVSAOF-UHFFFAOYSA-NSynonyms
CCC1(CC2=C(CO1)C=C3C(=N2)N=C(N(C3=O)CC4=CC=CC=C4)SCC(=O)OC)C
InChI=1SC23H25N3O4Sc1423(2)111816(133023)101720(2418)2522(311419(27)293)26(21(17)28)12158657915h510H41114H213H3
methyl((3benzyl8ethyl8methyl4oxo3689tetrahydro4Hpyrano(3456)pyrido(23d)pyrimidin2yl)sulfanyl)acetate
methyl2((3benzyl8ethyl8methyl4oxo4689tetrahydro3Hpyrano(3456)pyrido(23d)pyrimidin2yl)thio)acetate
methyl2((3benzyl8ethyl8methyl4oxo69dihydropyrano(34)pyrido(35b)pyrimidin2yl)sulfanyl)acetate
MFCD02988587
ZINC000001157325
ZINC000001157326
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