Vitas-M small molecule compound
3-[(1-ethyl-3-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
STK438512
SMILES CCn1cc(c(n1)C)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/c1-3-21-9-12(11(2)20-21)10-22-17(23)15-13-7-5-4-6-8-14(13)25-16(15)19-18(22)24/h9H,3-8,10H2,1-2H3,(H,19,24)InChIKey
GZZIPNZWZDZTAS-UHFFFAOYSA-NSynonyms
3((1ethyl3methyl1Hpyrazol4yl)methyl)2sulfanyl356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
3((1ethyl3methylpyrazol4yl)methyl)2sulfanylidene156789hexahydrocyclohepta(23)thieno(24b)pyrimidin4one
CCN1C=C(C(=N1)C)CN2C(=O)C3=C(NC2=S)SC4=C3CCCCC4
InChI=1SC18H22N4OS2c1321912(11(2)2021)102217(23)15137546814(13)2516(15)1918(22)24h9H3810H212H3(H1924)
MFCD03945469
ZINC000017076686
ZINC17076686
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