Vitas-M small molecule compound
2-{[2-(dimethylamino)ethyl]amino}-3-(4-fluorophenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK596452
SMILES CN(CCNc1nc2sc3c(c2c(=O)n1c1ccc(cc1)F)CCCCC3)C
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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 C21H25FN4OS MW 400.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25FN4OS/c1-25(2)13-12-23-21-24-19-18(16-6-4-3-5-7-17(16)28-19)20(27)26(21)15-10-8-14(22)9-11-15/h8-11H,3-7,12-13H2,1-2H3,(H,23,24)InChIKey
LHGVREOYGFLADT-UHFFFAOYSA-NSynonyms
900277-97-62((2(dimethylamino)ethyl)amino)3(4fluorophenyl)356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
2((2(dimethylamino)ethyl)amino)3(4fluorophenyl)6789tetrahydro3Hcyclohepta(45)thieno(23d)pyrimidin4(5H)one
2(2(dimethylamino)ethylamino)3(4fluorophenyl)6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin4one
900277976
CN(C)CCNC1=NC2=C(C3=C(S2)CCCCC3)C(=O)N1C4=CC=C(C=C4)F
InChI=1SC21H25FN4OSc125(2)13122321241918(166435717(16)2819)20(27)26(21)1510814(22)91115h811H371213H212H3(H2324)
MFCD06612179
ZINC000002357081
ZINC2357081
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