Vitas-M small molecule compound
2-(benzylsulfanyl)-7-tert-butyl-3-(2-methylprop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK831002
SMILES CC(=C)Cn1c(SCc2ccccc2)nc2c(c1=O)c1CCC(Cc1s2)C(C)(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 C25H30N2OS2 MW 438.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2OS2/c1-16(2)14-27-23(28)21-19-12-11-18(25(3,4)5)13-20(19)30-22(21)26-24(27)29-15-17-9-7-6-8-10-17/h6-10,18H,1,11-15H2,2-5H3InChIKey
ZYJRLIUIYRRYRO-UHFFFAOYSA-NSynonyms
351159-54-12(benzylsulfanyl)7tertbutyl3(2methylprop2en1yl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(benzylthio)7(tertbutyl)3(2methylallyl)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
2benzylsulfanyl7tertbutyl3(2methylprop2enyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
351159541
CC(=C)CN1C(=O)C2=C(N=C1SCC3=CC=CC=C3)SC4=C2CCC(C4)C(C)(C)C
InChI=1SC25H30N2OS2c116(2)142723(28)2119121118(25(34)5)1320(19)3022(21)2624(27)29151797681017h61018H11115H225H3
MFCD01875516
ZINC000002271074
ZINC000002271075
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