Vitas-M small molecule compound
5-[4-(dimethylamino)-3-nitrobenzylidene]-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK760023
SMILES S=C1N(c2ccccc2)C(=O)/C(=C/c2ccc(c(c2)[N+](=O)[O-])N(C)C)/C(=O)N1c1ccccc1
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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 C25H20N4O4S MW 472.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N4O4S/c1-26(2)21-14-13-17(16-22(21)29(32)33)15-20-23(30)27(18-9-5-3-6-10-18)25(34)28(24(20)31)19-11-7-4-8-12-19/h3-16H,1-2H3InChIKey
GEKYQGHWONBBCE-UHFFFAOYSA-NSynonyms
5((4(DIMETHYLAMINO)3NITROPHENYL)METHYLIDENE)13DIPHENYL2SULFANYLIDENE13DIAZINANE46DIONE
5(4(dimethylamino)3nitrobenzylidene)13diphenyl2thioxodihydropyrimidine46(1H5H)dione
CN(C)C1=C(C=C(C=C1)C=C2C(=O)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)(N+)(=O)(O)
InChI=1SC25H20N4O4Sc126(2)21141317(1622(21)29(32)33)152023(30)27(1895361018)25(34)28(24(20)31)19117481219h316H12H3
MFCD00615253
S=C1N(c2ccccc2)C(=O)C(=Cc2ccc(c(c2)(N+)(=O)(O))N(C)C)C(=O)N1c1ccccc1
ZINC000006136019
ZINC06136019
ZINC6136019
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