Vitas-M small molecule compound
(5E)-5-(4,5-dimethoxy-2-nitrobenzylidene)-1-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL374873
SMILES COc1cc([N+](=O)[O-])c(cc1OC)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccccc1
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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 C19H15N3O6S MW 413.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15N3O6S/c1-27-15-9-11(14(22(25)26)10-16(15)28-2)8-13-17(23)20-19(29)21(18(13)24)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,20,23,29)/b13-8+InChIKey
XJSUCWIRIMJSFG-MDWZMJQESA-NSynonyms
(5E)5((45DIMETHOXY2NITROPHENYL)METHYLIDENE)1PHENYL2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(45dimethoxy2nitrobenzylidene)1phenyl2thioxodihydropyrimidine46(1H5H)dione
COC1=C(C=C(C(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3)(N+)(=O)(O))OC
COc1cc((N+)(=O)(O))c(cc1OC)C=C1C(=O)NC(=S)N(C1=O)c1ccccc1
InChI=1SC19H15N3O6Sc12715911(14(22(25)26)1016(15)282)81317(23)2019(29)21(18(13)24)126435712h310H12H3(H202329)b138+
MFCD02211447
ZINC000001194874
ZINC1194874
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