Vitas-M small molecule compound
2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-3-(4-methoxyphenyl)-8,8-dimethyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Catalog ID
STK283353
SMILES COc1ccc(cc1)n1c(SCc2ccc3c(c2)OCO3)nc2c(c1=O)cc1c(n2)CC(OC1)(C)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 C27H25N3O5S MW 503.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O5S/c1-27(2)12-21-17(13-35-27)11-20-24(28-21)29-26(30(25(20)31)18-5-7-19(32-3)8-6-18)36-14-16-4-9-22-23(10-16)34-15-33-22/h4-11H,12-15H2,1-3H3InChIKey
GIUYTPMZQJVPHR-UHFFFAOYSA-NSynonyms
2((13benzodioxol5ylmethyl)sulfanyl)3(4methoxyphenyl)88dimethyl3689tetrahydro4Hpyrano(3456)pyrido(23d)pyrimidin4one
2((benzo(d)(13)dioxol5ylmethyl)thio)3(4methoxyphenyl)88dimethyl89dihydro3Hpyrano(3456)pyrido(23d)pyrimidin4(6H)one
2(13benzodioxol5ylmethylsulfanyl)3(4methoxyphenyl)88dimethyl69dihydropyrano(34)pyrido(35b)pyrimidin4one
CC1(CC2=C(CO1)C=C3C(=N2)N=C(N(C3=O)C4=CC=C(C=C4)OC)SCC5=CC6=C(C=C5)OCO6)C
InChI=1SC27H25N3O5Sc127(2)122117(133527)112024(2821)2926(30(25(20)31)185719(323)8618)361416492223(1016)34153322h411H1215H213H3
MFCD02988122
ZINC000000986140
ZINC00986140
ZINC986140
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