Vitas-M small molecule compound
4-butyl-1-sulfanyl-7,8,9,10-tetrahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK722403
SMILES CCCCn1c(=O)c2c3CCCCCc3sc2n2c1nnc2S
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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 C16H20N4OS2 MW 348.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N4OS2/c1-2-3-9-19-13(21)12-10-7-5-4-6-8-11(10)23-14(12)20-15(19)17-18-16(20)22/h2-9H2,1H3,(H,18,22)InChIKey
UEVYPELAAMIOJE-UHFFFAOYSA-NSynonyms
351005-01-1351005011
4butyl1mercapto78910tetrahydro4Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(6H)one
4butyl1sulfanyl78910tetrahydro6Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CCCCN1C(=O)C2=C(N3C1=NNC3=S)SC4=C2CCCCC4
InChI=1SC16H20N4OS2c12391913(21)12107546811(10)2314(12)2015(19)171816(20)22h29H21H3(H1822)
MFCD01947760
ZINC000005737594
ZINC5737594
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