Vitas-M small molecule compound
9-[(3-bromobenzyl)sulfanyl]-8-(4-methoxyphenyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
Catalog ID
STK541738
SMILES COc1ccc(cc1)n1c(SCc2cccc(c2)Br)nc2c(c1=O)c1CCc3c(c1s2)cccc3
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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 C28H21BrN2O2S2 MW 561.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21BrN2O2S2/c1-33-21-12-10-20(11-13-21)31-27(32)24-23-14-9-18-6-2-3-8-22(18)25(23)35-26(24)30-28(31)34-16-17-5-4-7-19(29)15-17/h2-8,10-13,15H,9,14,16H2,1H3InChIKey
WRRSWTJHSFRWHV-UHFFFAOYSA-NSynonyms
9((3bromobenzyl)sulfanyl)8(4methoxyphenyl)58dihydronaphtho(2145)thieno(23d)pyrimidin7(6H)one
9((3bromobenzyl)thio)8(4methoxyphenyl)56dihydronaphtho(2145)thieno(23d)pyrimidin7(8H)one
COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC(=CC=C4)Br)SC5=C3CCC6=CC=CC=C65
InChI=1SC28H21BrN2O2S2c13321121020(111321)3127(32)242314918623822(18)25(23)3526(24)3028(31)34161754719(29)1517h28101315H91416H21H3
MFCD03286952
ZINC000001902215
ZINC01902215
ZINC1902215
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