Vitas-M small molecule compound

[(4-amino-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetic acid

Catalog ID
STK722732
SMILES CC1CCc2c(C1)sc1c2c(N)nc(n1)SCC(=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 C13H15N3O2S2 MW 309.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N3O2S2/c1-6-2-3-7-8(4-6)20-12-10(7)11(14)15-13(16-12)19-5-9(17)18/h6H,2-5H2,1H3,(H,17,18)(H2,14,15,16)
InChIKey
CXJUNDMPJRAAOJ-UHFFFAOYSA-N
Synonyms

((4amino7methyl5678tetrahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)aceticacid
2((4amino7methyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)aceticacid
2((4amino7methyl5678tetrahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)aceticacid
CC1CCC2=C(C1)SC3=NC(=NC(=C23)N)SCC(=O)O
InChI=1SC13H15N3O2S2c162378(46)201210(7)11(14)1513(1612)1959(17)18h6H25H21H3(H1718)(H2141516)
MFCD02241073
ZINC000004030047
ZINC000004030048

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Available files

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