Vitas-M small molecule compound
5-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL506436
SMILES COc1cc(ccc1c1ccc(o1)/C=C/1\C(=O)N(c2ccccc2)C(=S)N(C1=O)c1ccccc1)[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 C28H19N3O6S MW 525.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H19N3O6S/c1-36-25-16-20(31(34)35)12-14-22(25)24-15-13-21(37-24)17-23-26(32)29(18-8-4-2-5-9-18)28(38)30(27(23)33)19-10-6-3-7-11-19/h2-17H,1H3InChIKey
JXWKMKOFMRWWRZ-UHFFFAOYSA-NSynonyms
5((5(2methoxy4nitrophenyl)furan2yl)methylidene)13diphenyl2sulfanylidene13diazinane46dione
5((5(2methoxy4nitrophenyl)furan2yl)methylidene)13diphenyl2thioxodihydropyrimidine46(1H5H)dione
50872562
InChI=1SC28H19N3O6Sc136251620(31(34)35)121422(25)24151321(3724)172326(32)29(188425918)28(38)30(27(23)33)19106371119h217H1H3
MFCD00657435
ZINC000113835667
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