Vitas-M small molecule compound
9-(hexylsulfanyl)-8-(3-methylphenyl)-5,8-dihydronaphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7(6H)-one
Catalog ID
STK530903
SMILES CCCCCCSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CCc1c3cccc1
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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 C27H28N2OS2 MW 460.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2OS2/c1-3-4-5-8-16-31-27-28-25-23(26(30)29(27)20-12-9-10-18(2)17-20)22-15-14-19-11-6-7-13-21(19)24(22)32-25/h6-7,9-13,17H,3-5,8,14-16H2,1-2H3InChIKey
RDMQEWSERCCMNS-UHFFFAOYSA-NSynonyms
9(hexylsulfanyl)8(3methylphenyl)58dihydronaphtho(2145)thieno(23d)pyrimidin7(6H)one
9(hexylthio)8(mtolyl)56dihydronaphtho(2145)thieno(23d)pyrimidin7(8H)one
CCCCCCSC1=NC2=C(C3=C(S2)C4=CC=CC=C4CC3)C(=O)N1C5=CC=CC(=C5)C
InChI=1SC27H28N2OS2c13458163127282523(26(30)29(27)201291018(2)1720)2215141911671321(19)24(22)3225h6791317H3581416H212H3
MFCD01992730
ZINC000002298457
ZINC02298457
ZINC2298457
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