Vitas-M small molecule compound
3-hydroxy-2-(4-oxo-2-thioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)propanoic acid
Catalog ID
STL133922
SMILES OCC(n1c(=S)[nH]c2c(c1=O)scc2)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 C9H8N2O4S2 MW 272.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H8N2O4S2/c12-3-5(8(14)15)11-7(13)6-4(1-2-17-6)10-9(11)16/h1-2,5,12H,3H2,(H,10,16)(H,14,15)InChIKey
BFAHNKSBTTVFME-UHFFFAOYSA-NSynonyms
3hydroxy2(4oxo2sulfanylidene1Hthieno(32d)pyrimidin3yl)propanoicacid
3hydroxy2(4oxo2thioxo14dihydrothieno(32d)pyrimidin3(2H)yl)propanoicacid
C1=CSC2=C1NC(=S)N(C2=O)C(CO)C(=O)O
InChI=1SC9H8N2O4S2c1235(8(14)15)117(13)64(12176)109(11)16h12512H3H2(H1016)(H1415)
MFCD20753871
OCC(n1c(=S)(nH)c2c(c1=O)scc2)C(=O)O
ZINC000067341253
ZINC000067341258
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