Vitas-M small molecule compound
methyl {[3-(4-methoxyphenyl)-8,8-dimethyl-4-oxo-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Catalog ID
STK531348
SMILES COC(=O)CSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1c1ccc(cc1)OC
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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 C22H23N3O5S MW 441.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O5S/c1-22(2)10-17-13(11-30-22)9-16-19(23-17)24-21(31-12-18(26)29-4)25(20(16)27)14-5-7-15(28-3)8-6-14/h5-9H,10-12H2,1-4H3InChIKey
TVNCODWHOJBGBR-UHFFFAOYSA-NSynonyms
CC1(CC2=C(CO1)C=C3C(=N2)N=C(N(C3=O)C4=CC=C(C=C4)OC)SCC(=O)OC)C
InChI=1SC22H23N3O5Sc122(2)101713(113022)91619(2317)2421(311218(26)294)25(20(16)27)145715(283)8614h59H1012H214H3
methyl((3(4methoxyphenyl)88dimethyl4oxo3689tetrahydro4Hpyrano(3456)pyrido(23d)pyrimidin2yl)sulfanyl)acetate
methyl2((3(4methoxyphenyl)88dimethyl4oxo4689tetrahydro3Hpyrano(3456)pyrido(23d)pyrimidin2yl)thio)acetate
methyl2((3(4methoxyphenyl)88dimethyl4oxo69dihydropyrano(34)pyrido(35b)pyrimidin2yl)sulfanyl)acetate
MFCD02995607
ZINC000001239735
ZINC01239735
ZINC1239735
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