Vitas-M small molecule compound
ethyl [(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
STK531677
SMILES CCOC(=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 C24H27N3O4S MW 453.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N3O4S/c1-4-24(3)12-19-17(14-31-24)11-18-21(25-19)26-23(32-15-20(28)30-5-2)27(22(18)29)13-16-9-7-6-8-10-16/h6-11H,4-5,12-15H2,1-3H3InChIKey
IIYVBGUOKFHPRV-UHFFFAOYSA-NSynonyms
CCC1(CC2=C(CO1)C=C3C(=N2)N=C(N(C3=O)CC4=CC=CC=C4)SCC(=O)OCC)C
ethyl((3benzyl8ethyl8methyl4oxo3689tetrahydro4Hpyrano(3456)pyrido(23d)pyrimidin2yl)sulfanyl)acetate
ethyl2((3benzyl8ethyl8methyl4oxo4689tetrahydro3Hpyrano(3456)pyrido(23d)pyrimidin2yl)thio)acetate
ethyl2((3benzyl8ethyl8methyl4oxo69dihydropyrano(34)pyrido(35b)pyrimidin2yl)sulfanyl)acetate
InChI=1SC24H27N3O4Sc1424(3)121917(143124)111821(2519)2623(321520(28)3052)27(22(18)29)131697681016h611H451215H213H3
MFCD02986210
ZINC000001258650
ZINC000001258654
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