Vitas-M small molecule compound
2-(benzylsulfanyl)-7-tert-butyl-3-cyclohexyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STL328132
SMILES O=c1c2c(sc3c2CCC(C3)C(C)(C)C)nc(n1C1CCCCC1)SCc1ccccc1
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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 C27H34N2OS2 MW 466.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N2OS2/c1-27(2,3)19-14-15-21-22(16-19)32-24-23(21)25(30)29(20-12-8-5-9-13-20)26(28-24)31-17-18-10-6-4-7-11-18/h4,6-7,10-11,19-20H,5,8-9,12-17H2,1-3H3InChIKey
FNOVINXWCQOQNF-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)7tertbutyl3cyclohexyl5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(benzylthio)7(tertbutyl)3cyclohexyl5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
2benzylsulfanyl7tertbutyl3cyclohexyl5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC4=CC=CC=C4)C5CCCCC5
InChI=1SC27H34N2OS2c127(23)1914152122(1619)322423(21)25(30)29(20128591320)26(2824)311718106471118h46710111920H5891217H213H3
MFCD01897845
ZINC000002183447
ZINC000002183448
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