Vitas-M small molecule compound
methyl {[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
STL334968
SMILES COC(=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 C22H23N3O4S MW 425.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O4S/c1-13-5-7-15(8-6-13)25-20(27)16-9-14-11-29-22(2,3)10-17(14)23-19(16)24-21(25)30-12-18(26)28-4/h5-9H,10-12H2,1-4H3InChIKey
BEKUXLUQKFRTEM-UHFFFAOYSA-NSynonyms
496772-61-3496772613
CC1=CC=C(C=C1)N2C(=O)C3=CC4=C(CC(OC4)(C)C)N=C3N=C2SCC(=O)OC
InChI=1SC22H23N3O4Sc1135715(8613)2520(27)16914112922(23)1017(14)2319(16)2421(25)301218(26)284h59H1012H214H3
methyl((88dimethyl3(4methylphenyl)4oxo3689tetrahydro4Hpyrano(3456)pyrido(23d)pyrimidin2yl)sulfanyl)acetate
methyl2((88dimethyl3(4methylphenyl)4oxo69dihydropyrano(34)pyrido(35b)pyrimidin2yl)sulfanyl)acetate
methyl2((88dimethyl4oxo3(ptolyl)4689tetrahydro3Hpyrano(3456)pyrido(23d)pyrimidin2yl)thio)acetate
MFCD03298508
ZINC000002297235
ZINC02297235
ZINC2297235
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