Vitas-M small molecule compound

2-(4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)butanoic acid

Catalog ID
STK589682
SMILES CCC(n1cnc2c(c1=O)c1CCCc1s2)C(=O)O

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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 C13H14N2O3S MW 278.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N2O3S/c1-2-8(13(17)18)15-6-14-11-10(12(15)16)7-4-3-5-9(7)19-11/h6,8H,2-5H2,1H3,(H,17,18)
InChIKey
LATCCAOKFAENSY-UHFFFAOYSA-N
Synonyms
446830-17-7
2(1oxo78dihydro6Hcyclopenta(23)thieno(24d)pyrimidin2yl)butanoicacid
2(4oxo4567tetrahydro3Hcyclopenta(45)thieno(23d)pyrimidin3yl)butanoicacid
2(4oxo67dihydro4Hcyclopenta(45)thieno(23d)pyrimidin3(5H)yl)butanoicacid
446830177
CCC(C(=O)O)N1C=NC2=C(C1=O)C3=C(S2)CCC3
InChI=1SC13H14N2O3Sc128(13(17)18)156141110(12(15)16)74359(7)1911h68H25H21H3(H1718)
MFCD02958460
ZINC000000549351
ZINC000002615748

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.