Vitas-M small molecule compound
ethyl 4-amino-2-{[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
Catalog ID
STL354747
SMILES CCOC(=O)c1cnc(nc1N)SCC(=O)Nc1ccc2c(c1)OCO2
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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 C16H16N4O5S MW 376.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4O5S/c1-2-23-15(22)10-6-18-16(20-14(10)17)26-7-13(21)19-9-3-4-11-12(5-9)25-8-24-11/h3-6H,2,7-8H2,1H3,(H,19,21)(H2,17,18,20)InChIKey
MNROQDPAWGMYQN-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC3=C(C=C2)OCO3
ethyl4amino2((2(13benzodioxol5ylamino)2oxoethyl)sulfanyl)pyrimidine5carboxylate
ETHYL4AMINO2(2(13BENZODIOXOL5YLAMINO)2OXOETHYL)SULFANYLPYRIMIDINE5CARBOXYLATE
InChI=1SC16H16N4O5Sc122315(22)1061816(2014(10)17)26713(21)199341112(59)2582411h36H278H21H3(H1921)(H2171820)
MFCD02745349
ZINC000002875345
ZINC02875345
ZINC2875345
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