Vitas-M small molecule compound
3-(2-methylphenyl)-2-(pentylsulfanyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK531872
SMILES CCCCCSc1nc2sc3c(c2c(=O)n1c1ccccc1C)CCC3
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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 C21H24N2OS2 MW 384.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2OS2/c1-3-4-7-13-25-21-22-19-18(15-10-8-12-17(15)26-19)20(24)23(21)16-11-6-5-9-14(16)2/h5-6,9,11H,3-4,7-8,10,12-13H2,1-2H3InChIKey
JOJMXITZQJTOHL-UHFFFAOYSA-NSynonyms
2(2methylphenyl)3pentylsulfanyl78dihydro6Hcyclopenta(23)thieno(24b)pyrimidin1one
2(pentylthio)3(otolyl)67dihydro3Hcyclopenta(45)thieno(23d)pyrimidin4(5H)one
3(2methylphenyl)2(pentylsulfanyl)3567tetrahydro4Hcyclopenta(45)thieno(23d)pyrimidin4one
CCCCCSC1=NC2=C(C3=C(S2)CCC3)C(=O)N1C4=CC=CC=C4C
InChI=1SC21H24N2OS2c1347132521221918(151081217(15)2619)20(24)23(21)161165914(16)2h56911H3478101213H212H3
MFCD02993886
ZINC000001823538
ZINC01823538
ZINC1823538
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