Vitas-M small molecule compound

2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)propanoic acid

Catalog ID
STK969599
SMILES OC(=O)C(Sc1ncnc2c1c1CCCCc1s2)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 C13H14N2O2S2 MW 294.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N2O2S2/c1-7(13(16)17)18-11-10-8-4-2-3-5-9(8)19-12(10)15-6-14-11/h6-7H,2-5H2,1H3,(H,16,17)
InChIKey
DNHAWSKHAVDJRM-UHFFFAOYSA-N
Synonyms
433946-68-0
2((5678tetrahydrobenzo(45)thieno(23d)pyrimidin4yl)thio)propanoicacid
2(5678tetrahydro(1)benzothieno(23d)pyrimidin4ylsulfanyl)propanoicacid
2(5678tetrahydro(1)benzothiolo(23d)pyrimidin4ylsulfanyl)propanoicacid
433946680
CC(C(=O)O)SC1=NC=NC2=C1C3=C(S2)CCCC3
InChI=1SC13H14N2O2S2c17(13(16)17)181110842359(8)1912(10)1561411h67H25H21H3(H1617)
MFCD02587620
ZINC000000084782
ZINC000000084784

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Available files

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