Vitas-M small molecule compound
2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-8-ethyl-8-methyl-3-(4-methylphenyl)-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Catalog ID
STK541682
SMILES CCC1(C)OCc2c(C1)nc1c(c2)c(=O)n(c(n1)SCc1ccc2c(c1)OCO2)c1ccc(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 C28H27N3O4S MW 501.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O4S/c1-4-28(3)13-22-19(14-35-28)12-21-25(29-22)30-27(31(26(21)32)20-8-5-17(2)6-9-20)36-15-18-7-10-23-24(11-18)34-16-33-23/h5-12H,4,13-16H2,1-3H3InChIKey
IWFIRWFRMPHPTC-UHFFFAOYSA-NSynonyms
497228-88-32((13benzodioxol5ylmethyl)sulfanyl)8ethyl8methyl3(4methylphenyl)3689tetrahydro4Hpyrano(3456)pyrido(23d)pyrimidin4one
2((benzo(d)(13)dioxol5ylmethyl)thio)8ethyl8methyl3(ptolyl)89dihydro3Hpyrano(3456)pyrido(23d)pyrimidin4(6H)one
2(13benzodioxol5ylmethylsulfanyl)8ethyl8methyl3(4methylphenyl)69dihydropyrano(34)pyrido(35b)pyrimidin4one
497228883
CCC1(CC2=C(CO1)C=C3C(=N2)N=C(N(C3=O)C4=CC=C(C=C4)C)SCC5=CC6=C(C=C5)OCO6)C
InChI=1SC28H27N3O4Sc1428(3)132219(143528)122125(2922)3027(31(26(21)32)208517(2)6920)3615187102324(1118)34163323h512H41316H213H3
MFCD03300460
ZINC000001253467
ZINC000001253468
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