Vitas-M small molecule compound
2-{(E)-2-[5-(cyclohexylsulfanyl)furan-2-yl]ethenyl}-6-hydroxy-5-nitropyrimidin-4(3H)-one
Catalog ID
STL294414
SMILES [O-][N+](=O)c1c(O)nc([nH]c1=O)/C=C/c1ccc(o1)SC1CCCCC1
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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 C16H17N3O5S MW 363.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O5S/c20-15-14(19(22)23)16(21)18-12(17-15)8-6-10-7-9-13(24-10)25-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,17,18,20,21)/b8-6+InChIKey
JUHGJSMKCLYRSH-SOFGYWHQSA-NSynonyms
(O)(N+)(=O)c1c(O)nc((nH)c1=O)C=Cc1ccc(o1)SC1CCCCC1
2((E)2(5(cyclohexylsulfanyl)furan2yl)ethenyl)6hydroxy5nitropyrimidin4(3H)one
2((E)2(5cyclohexylsulfanylfuran2yl)ethenyl)4hydroxy5nitro1Hpyrimidin6one
C1CCC(CC1)SC2=CC=C(O2)C=CC3=NC(=C(C(=O)N3)(N+)(=O)(O))O
InChI=1SC16H17N3O5Sc201514(19(22)23)16(21)1812(1715)86107913(2410)25114213511h6911H15H2(H217182021)b86+
MFCD09218271
ZINC000009189660
ZINC9189660
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