Vitas-M small molecule compound
5,5'-[(3-nitrophenyl)methanediyl]bis(6-hydroxy-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one)
Catalog ID
STK727681
SMILES Oc1c(C(c2c(O)n(C)c(=S)n(c2=O)C)c2cccc(c2)[N+](=O)[O-])c(=O)n(c(=S)n1C)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 C19H19N5O6S2 MW 477.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N5O6S2/c1-20-14(25)12(15(26)21(2)18(20)31)11(9-6-5-7-10(8-9)24(29)30)13-16(27)22(3)19(32)23(4)17(13)28/h5-8,11,25,27H,1-4H3InChIKey
ROZCMOBXBAYXDM-UHFFFAOYSA-NSynonyms
680200-52-655((3nitrophenyl)methanediyl)bis(6hydroxy13dimethyl2thioxo23dihydropyrimidin4(1H)one)
55((3nitrophenyl)methylene)bis(6hydroxy13dimethyl2thioxo23dihydropyrimidin4(1H)one)
680200526
6HYDROXY5((4HYDROXY13DIMETHYL6OXO2SULFANYLIDENEPYRIMIDIN5YL)(3NITROPHENYL)METHYL)13DIMETHYL2SULFANYLIDENEPYRIMIDIN4ONE
CN1C(=C(C(=O)N(C1=S)C)C(C2=CC(=CC=C2)(N+)(=O)(O))C3=C(N(C(=S)N(C3=O)C)C)O)O
InChI=1SC19H19N5O6S2c12014(25)12(15(26)21(2)18(20)31)11(965710(89)24(29)30)1316(27)22(3)19(32)23(4)17(13)28h58112527H14H3
MFCD04011316
Oc1c(C(c2c(O)n(C)c(=S)n(c2=O)C)c2cccc(c2)(N+)(=O)(O))c(=O)n(c(=S)n1C)C
ZINC000013511067
ZINC13511067
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