Vitas-M small molecule compound

2-{[3-(dimethylamino)propyl]amino}-3-(4-fluorophenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one

Catalog ID
STK599864
SMILES CN(CCCNc1nc2sc3c(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 C22H27FN4OS MW 414.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27FN4OS/c1-26(2)14-6-13-24-22-25-20-19(17-7-4-3-5-8-18(17)29-20)21(28)27(22)16-11-9-15(23)10-12-16/h9-12H,3-8,13-14H2,1-2H3,(H,24,25)
InChIKey
USMUQRJDOKQXRP-UHFFFAOYSA-N
Synonyms
900286-11-5
2((3(dimethylamino)propyl)amino)3(4fluorophenyl)356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
2((3(dimethylamino)propyl)amino)3(4fluorophenyl)6789tetrahydro3Hcyclohepta(45)thieno(23d)pyrimidin4(5H)one
2(3(dimethylamino)propylamino)3(4fluorophenyl)6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin4one
900286115
CN(C)CCCNC1=NC2=C(C3=C(S2)CCCCC3)C(=O)N1C4=CC=C(C=C4)F
InChI=1SC22H27FN4OSc126(2)146132422252019(177435818(17)2920)21(28)27(22)1611915(23)101216h912H381314H212H3(H2425)
MFCD06614055
ZINC000002365606
ZINC2365606

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Available files

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