Vitas-M small molecule compound
2-[(4-bromobenzyl)sulfanyl]-8,8-dimethyl-3-phenyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Catalog ID
STK720718
SMILES Brc1ccc(cc1)CSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1c1ccccc1
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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 C25H22BrN3O2S MW 508.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22BrN3O2S/c1-25(2)13-21-17(14-31-25)12-20-22(27-21)28-24(32-15-16-8-10-18(26)11-9-16)29(23(20)30)19-6-4-3-5-7-19/h3-12H,13-15H2,1-2H3InChIKey
XJKLQIDLIBDNAE-UHFFFAOYSA-NSynonyms
842964-49-22((4bromobenzyl)sulfanyl)88dimethyl3phenyl3689tetrahydro4Hpyrano(3456)pyrido(23d)pyrimidin4one
2((4bromobenzyl)thio)88dimethyl3phenyl89dihydro3Hpyrano(3456)pyrido(23d)pyrimidin4(6H)one
2((4bromophenyl)methylsulfanyl)88dimethyl3phenyl69dihydropyrano(34)pyrido(35b)pyrimidin4one
842964492
CC1(CC2=C(CO1)C=C3C(=N2)N=C(N(C3=O)C4=CC=CC=C4)SCC5=CC=C(C=C5)Br)C
InChI=1SC25H22BrN3O2Sc125(2)132117(143125)122022(2721)2824(32151681018(26)11916)29(23(20)30)196435719h312H1315H212H3
MFCD04012468
ZINC000002403629
ZINC02403629
ZINC2403629
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