Vitas-M small molecule compound
3-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-sulfanyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK438561
SMILES CCn1ncc(c1)Cn1c(S)nc2c(c1=O)c1CCCCCc1s2
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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 C17H20N4OS2 MW 360.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N4OS2/c1-2-20-9-11(8-18-20)10-21-16(22)14-12-6-4-3-5-7-13(12)24-15(14)19-17(21)23/h8-9H,2-7,10H2,1H3,(H,19,23)InChIKey
BHXHFVIWAAFZDQ-UHFFFAOYSA-NSynonyms
3((1ethyl1Hpyrazol4yl)methyl)2sulfanyl356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
3((1ethylpyrazol4yl)methyl)2sulfanylidene156789hexahydrocyclohepta(23)thieno(24b)pyrimidin4one
CCN1C=C(C=N1)CN2C(=O)C3=C(NC2=S)SC4=C3CCCCC4
InChI=1SC17H20N4OS2c1220911(81820)102116(22)14126435713(12)2415(14)1917(21)23h89H2710H21H3(H1923)
MFCD03945437
ZINC000017074321
ZINC17074321
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