Vitas-M small molecule compound
4-(3-methylphenyl)-1-thioxo-2,4,7,8-tetrahydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
Catalog ID
STK845772
SMILES Cc1cccc(c1)n1c(=O)c2c3CCCc3sc2n2c1n[nH]c2=S
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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 C17H14N4OS2 MW 354.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N4OS2/c1-9-4-2-5-10(8-9)20-14(22)13-11-6-3-7-12(11)24-15(13)21-16(20)18-19-17(21)23/h2,4-5,8H,3,6-7H2,1H3,(H,19,23)InChIKey
NNFIWDIVJBUAPK-UHFFFAOYSA-NSynonyms
383902-18-91MERCAPTO4(3METHYLPHENYL)78DIHYDRO6HCYCLOPENTA(45)THIENO(32E)(124)TRIAZOLO(43A)PYRIMIDIN5(4H)ONE
383902189
4(3methylphenyl)1thioxo2478tetrahydro6Hcyclopenta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(1H)one
CC1=CC(=CC=C1)N2C(=O)C3=C(N4C2=NNC4=S)SC5=C3CCC5
Cc1cccc(c1)n1c(=O)c2c3CCCc3sc2n2c1n(nH)c2=S
InChI=1SC17H14N4OS2c1942510(89)2014(22)131163712(11)2415(13)2116(20)181917(21)23h2458H367H21H3(H1923)
MFCD03799155
ZINC000001300835
ZINC1300835
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