Vitas-M small molecule compound
(5E)-1-(3-bromophenyl)-5-(4,5-dimethoxy-2-nitrobenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK192829
SMILES COc1cc([N+](=O)[O-])c(cc1OC)/C=C/1\C(=O)NC(=S)N(C1=O)c1cccc(c1)Br
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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 C19H14BrN3O6S MW 492.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14BrN3O6S/c1-28-15-7-10(14(23(26)27)9-16(15)29-2)6-13-17(24)21-19(30)22(18(13)25)12-5-3-4-11(20)8-12/h3-9H,1-2H3,(H,21,24,30)/b13-6+InChIKey
HTWKYIHNCAYVPW-AWNIVKPZSA-NSynonyms
(5E)1(3BROMOPHENYL)5((45DIMETHOXY2NITROPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(3BROMOPHENYL)5(45DIMETHOXY2NITROBENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
COC1=C(C=C(C(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)Br)(N+)(=O)(O))OC
COc1cc((N+)(=O)(O))c(cc1OC)C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1)Br
InChI=1SC19H14BrN3O6Sc12815710(14(23(26)27)916(15)292)61317(24)2119(30)22(18(13)25)1253411(20)812h39H12H3(H212430)b136+
MFCD02213169
ZINC000001203571
ZINC1203571
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