Vitas-M small molecule compound
2-{4-[(3-benzyl-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]butyl}-1H-isoindole-1,3(2H)-dione
Catalog ID
STK698935
SMILES O=C1N(CCCCSc2nc3sc4c(c3c(=O)n2Cc2ccccc2)CCC4)C(=O)c2c1cccc2
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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 C28H25N3O3S2 MW 515.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O3S2/c32-25-19-11-4-5-12-20(19)26(33)30(25)15-6-7-16-35-28-29-24-23(21-13-8-14-22(21)36-24)27(34)31(28)17-18-9-2-1-3-10-18/h1-5,9-12H,6-8,13-17H2InChIKey
ANKUWVCWQBEDCV-UHFFFAOYSA-NSynonyms
371222-31-02(4((2benzyl1oxo78dihydro6Hcyclopenta(23)thieno(24b)pyrimidin3yl)sulfanyl)butyl)isoindole13dione
2(4((3benzyl4oxo3567tetrahydro4Hcyclopenta(45)thieno(23d)pyrimidin2yl)sulfanyl)butyl)1Hisoindole13(2H)dione
2(4((3benzyl4oxo4567tetrahydro3Hcyclopenta(45)thieno(23d)pyrimidin2yl)thio)butyl)isoindoline13dione
371222310
C1CC2=C(C1)SC3=C2C(=O)N(C(=N3)SCCCCN4C(=O)C5=CC=CC=C5C4=O)CC6=CC=CC=C6
InChI=1SC28H25N3O3S2c32251911451220(19)26(33)30(25)1567163528292423(211381422(21)3624)27(34)31(28)171892131018h15912H681317H2
MFCD01853056
ZINC000002266818
ZINC02266818
ZINC2266818
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