Vitas-M small molecule compound
1,3-diethyl-5-(4-hydroxy-3-nitrobenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK190054
SMILES CCN1C(=O)C(=Cc2ccc(c(c2)[N+](=O)[O-])O)C(=O)N(C1=S)CC
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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 C15H15N3O5S MW 349.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15N3O5S/c1-3-16-13(20)10(14(21)17(4-2)15(16)24)7-9-5-6-12(19)11(8-9)18(22)23/h5-8,19H,3-4H2,1-2H3InChIKey
WKPQENHUCQCWKQ-UHFFFAOYSA-NSynonyms
13DIETHYL5((4HYDROXY3NITROPHENYL)METHYLENE)2THIOXO13DIHYDROPYRIMIDINE46DIONE
13DIETHYL5((4HYDROXY3NITROPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
13DIETHYL5(4HYDROXY3NITROBENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCN1C(=O)C(=CC2=CC(=C(C=C2)O)(N+)(=O)(O))C(=O)N(C1=S)CC
CCN1C(=O)C(=Cc2ccc(c(c2)(N+)(=O)(O))O)C(=O)N(C1=S)CC
InChI=1SC15H15N3O5Sc131613(20)10(14(21)17(42)15(16)24)795612(19)11(89)18(22)23h5819H34H212H3
MFCD03013938
ZINC000036142755
ZINC36142755
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