Vitas-M small molecule compound
2-(butylsulfanyl)pyrimidinediium-4,6-diolate
Catalog ID
STK526808
SMILES CCCCSc1[nH+]c([O-])cc([nH+]1)[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 C8H12N2O2S MW 200.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H12N2O2S/c1-2-3-4-13-8-9-6(11)5-7(12)10-8/h5H,2-4H2,1H3,(H2,9,10,11,12)InChIKey
FRPDHTGXKVGMLG-UHFFFAOYSA-NSynonyms
2(butylsulfanyl)pyrimidinediium46diolate
2(butylthio)pyrimidine13diium46bis(olate)
2BUTYLSULFANYL4HYDROXY1HPYRIMIDIN6ONE
2NBUTYLTHIO46DIHYDROXYPYRIMIDINE
CCCCSc1(nH+)c((O))cc((nH+)1)(O)
CCCCSC1=(NH+)C(=CC(=(NH+)1)(O))(O)
CCCCSC1=NC(=CC(=O)N1)O
InChI=1SC8H12N2O2Sc123413896(11)57(12)108h5H24H21H3(H29101112)
MFCD01245311
ZINC000013777799
ZINC13777799
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