Vitas-M small molecule compound

2-(hexylsulfanyl)-6,6-dimethyl-3-(2-methylprop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

Catalog ID
STK831145
SMILES CCCCCCSc1nc2sc3c(c2c(=O)n1CC(=C)C)CC(OC3)(C)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 C21H30N2O2S2 MW 406.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30N2O2S2/c1-6-7-8-9-10-26-20-22-18-17(19(24)23(20)12-14(2)3)15-11-21(4,5)25-13-16(15)27-18/h2,6-13H2,1,3-5H3
InChIKey
ULMOBIZDOHWLPS-UHFFFAOYSA-N
Synonyms
351008-27-0
2(hexylsulfanyl)66dimethyl3(2methylprop2en1yl)3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin4one
2(hexylthio)66dimethyl3(2methylallyl)56dihydro3Hpyrano(4345)thieno(23d)pyrimidin4(8H)one
2hexylsulfanyl66dimethyl3(2methylprop2enyl)58dihydropyrano(23)thieno(24b)pyrimidin4one
351008270
CCCCCCSC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1CC(=C)C
InChI=1SC21H30N2O2S2c16789102620221817(19(24)23(20)1214(2)3)151121(45)251316(15)2718h2613H2135H3
MFCD01875668
ZINC000002271202
ZINC02271202
ZINC2271202

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Available files

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