Vitas-M small molecule compound
3-[(1-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
STK438772
SMILES Cn1ncc(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 C16H18N4OS2 MW 346.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4OS2/c1-19-8-10(7-17-19)9-20-15(21)13-11-5-3-2-4-6-12(11)23-14(13)18-16(20)22/h7-8H,2-6,9H2,1H3,(H,18,22)InChIKey
HMKBNRXHKWLVHS-UHFFFAOYSA-NSynonyms
3((1methyl1Hpyrazol4yl)methyl)2sulfanyl356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
3((1methylpyrazol4yl)methyl)2sulfanylidene156789hexahydrocyclohepta(23)thieno(24b)pyrimidin4one
CN1C=C(C=N1)CN2C(=O)C3=C(NC2=S)SC4=C3CCCCC4
InChI=1SC16H18N4OS2c119810(71719)92015(21)13115324612(11)2314(13)1816(20)22h78H269H21H3(H1822)
MFCD03945435
ZINC000017072167
ZINC17072167
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