Vitas-M small molecule compound
3-[(1-ethyl-5-methyl-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
STK438580
SMILES CCn1ncc(c1C)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 C18H22N4OS2 MW 374.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4OS2/c1-3-22-11(2)12(9-19-22)10-21-17(23)15-13-7-5-4-6-8-14(13)25-16(15)20-18(21)24/h9H,3-8,10H2,1-2H3,(H,20,24)InChIKey
BJOKBZJBIAEVOP-UHFFFAOYSA-NSynonyms
3((1ethyl5methyl1Hpyrazol4yl)methyl)2sulfanyl356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
3((1ethyl5methylpyrazol4yl)methyl)2sulfanylidene156789hexahydrocyclohepta(23)thieno(24b)pyrimidin4one
CCN1C(=C(C=N1)CN2C(=O)C3=C(NC2=S)SC4=C3CCCCC4)C
InChI=1SC18H22N4OS2c132211(2)12(91922)102117(23)15137546814(13)2516(15)2018(21)24h9H3810H212H3(H2024)
MFCD03945461
ZINC000017076691
ZINC17076691
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