Vitas-M small molecule compound
5-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187307
SMILES CCOc1cc(C=C2C(=O)N(C)C(=S)N(C2=O)C)cc(c1O)[N+](=O)[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 C15H15N3O6S MW 365.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15N3O6S/c1-4-24-11-7-8(6-10(12(11)19)18(22)23)5-9-13(20)16(2)15(25)17(3)14(9)21/h5-7,19H,4H2,1-3H3InChIKey
MRYWSBCZGMXQNI-UHFFFAOYSA-NSynonyms
5((3ETHOXY4HYDROXY5NITROPHENYL)METHYLIDENE)13DIMETHYL2SULFANYLIDENE13DIAZINANE46DIONE
5(3ETHOXY4HYDROXY5NITROBENZYLIDENE)13DIMETHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=CC(=CC(=C1O)(N+)(=O)(O))C=C2C(=O)N(C(=S)N(C2=O)C)C
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C2=O)C)cc(c1O)(N+)(=O)(O)
InChI=1SC15H15N3O6Sc14241178(610(12(11)19)18(22)23)5913(20)16(2)15(25)17(3)14(9)21h5719H4H213H3
MFCD03706616
ZINC000036142717
ZINC36142717
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