Vitas-M small molecule compound

2-[(3-ethyl-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoic acid

Catalog ID
STK059120
SMILES CCn1c(SC(C(=O)O)C)nc2c(c1=O)c1CCCc1s2

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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 C14H16N2O3S2 MW 324.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16N2O3S2/c1-3-16-12(17)10-8-5-4-6-9(8)21-11(10)15-14(16)20-7(2)13(18)19/h7H,3-6H2,1-2H3,(H,18,19)
InChIKey
BWDMSMJXEZXAPE-UHFFFAOYSA-N
Synonyms
369607-52-3
2((2ETHYL1KETO78DIHYDRO6HCYCLOPENTA(23)THIENO(24B)PYRIMIDIN3YL)THIO)PROPIONICACID
2((2ETHYL1OXIDANYLIDENE78DIHYDRO6HCYCLOPENTA(23)THIENO(24B)PYRIMIDIN3YL)SULFANYL)PROPANOICACID
2((2ETHYL1OXO78DIHYDRO6HCYCLOPENTA(23)THIENO(24B)PYRIMIDIN3YL)SULFANYL)PROPANOICACID
2((2ETHYL1OXO78DIHYDRO6HCYCLOPENTA(23)THIENO(24B)PYRIMIDIN3YL)THIO)PROPANOICACID
2((3ethyl4oxo3567tetrahydro4Hcyclopenta(45)thieno(23d)pyrimidin2yl)sulfanyl)propanoicacid
2((3ethyl4oxo4567tetrahydro3Hcyclopenta(45)thieno(23d)pyrimidin2yl)thio)propanoicacid
369607523
CCN1C(=O)C2=C(N=C1SC(C)C(=O)O)SC3=C2CCC3
CCn1c(SC(C(=O)O)C)nc2c(c1=O)c1CCCc1s2
InChI=1SC14H16N2O3S2c131612(17)1085469(8)2111(10)1514(16)207(2)13(18)19h7H36H212H3(H1819)
MFCD01470972
STK059120
ZINC000004339195
ZINC000004339196

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Available files

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