Vitas-M small molecule compound
2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-3-(3-bromophenyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK538922
SMILES Brc1cccc(c1)n1c(SCc2ccc3c(c2)OCO3)nc2c(c1=O)c1CC(C)(C)OCc1s2
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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 C25H21BrN2O4S2 MW 557.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21BrN2O4S2/c1-25(2)10-17-20(11-32-25)34-22-21(17)23(29)28(16-5-3-4-15(26)9-16)24(27-22)33-12-14-6-7-18-19(8-14)31-13-30-18/h3-9H,10-13H2,1-2H3InChIKey
HMEJIHDOJLYIOI-UHFFFAOYSA-NSynonyms
2((13benzodioxol5ylmethyl)sulfanyl)3(3bromophenyl)66dimethyl3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin4one
2((benzo(d)(13)dioxol5ylmethyl)thio)3(3bromophenyl)66dimethyl56dihydro3Hpyrano(4345)thieno(23d)pyrimidin4(8H)one
2(13benzodioxol5ylmethylsulfanyl)3(3bromophenyl)66dimethyl58dihydropyrano(23)thieno(24b)pyrimidin4one
CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC4=CC5=C(C=C4)OCO5)C6=CC(=CC=C6)Br)C
InChI=1SC25H21BrN2O4S2c125(2)101720(113225)342221(17)23(29)28(1653415(26)916)24(2722)331214671819(814)31133018h39H1013H212H3
MFCD03285890
ZINC000001818102
ZINC01818102
ZINC1818102
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