Vitas-M small molecule compound
ethyl 3-({[(6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)thiophene-2-carboxylate
Catalog ID
STL084493
SMILES CCOC(=O)c1sccc1NC(=O)CSc1nc2cc([nH]c2c(=O)[nH]1)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 C16H16N4O4S2 MW 392.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4O4S2/c1-3-24-15(23)13-9(4-5-25-13)18-11(21)7-26-16-19-10-6-8(2)17-12(10)14(22)20-16/h4-6,17H,3,7H2,1-2H3,(H,18,21)(H,19,20,22)InChIKey
ZRLJPNYTJXPAIB-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C=CS1)NC(=O)CSC2=NC(=O)C3=C(N2)C=C(N3)C
CCOC(=O)c1sccc1NC(=O)CSc1nc2cc((nH)c2c(=O)(nH)1)C
ethyl3((((6methyl4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetyl)amino)thiophene2carboxylate
ethyl3((2((6methyl4oxo15dihydropyrrolo(32d)pyrimidin2yl)sulfanyl)acetyl)amino)thiophene2carboxylate
InChI=1SC16H16N4O4S2c132415(23)139(452513)1811(21)72616191068(2)1712(10)14(22)2016h4617H37H212H3(H1821)(H192022)
MFCD18203063
ZINC000057522195
ZINC57522195
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