Vitas-M small molecule compound
(5Z)-5-[4-(dimethylamino)-3-nitrobenzylidene]-3-(3,4-dimethylphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Catalog ID
STK845840
SMILES O=C1N=C(O)/C(=C/c2ccc(c(c2)[N+](=O)[O-])N(C)C)/C(=O)N1c1ccc(c(c1)C)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 C21H20N4O5 MW 408.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O5/c1-12-5-7-15(9-13(12)2)24-20(27)16(19(26)22-21(24)28)10-14-6-8-17(23(3)4)18(11-14)25(29)30/h5-11H,1-4H3,(H,22,26,28)/b16-10-InChIKey
HTUNCSSHDASLQP-YBEGLDIGSA-NSynonyms
384356-66-5(5Z)5((4(DIMETHYLAMINO)3NITROPHENYL)METHYLIDENE)1(34DIMETHYLPHENYL)13DIAZINANE246TRIONE
(5Z)5(4(dimethylamino)3nitrobenzylidene)3(34dimethylphenyl)6hydroxypyrimidine24(3H5H)dione
384356665
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)N(C)C)(N+)(=O)(O))C(=O)NC2=O)C
InChI=1SC21H20N4O5c1125715(913(12)2)2420(27)16(19(26)2221(24)28)10146817(23(3)4)18(1114)25(29)30h511H14H3(H222628)b1610
MFCD03818110
O=C1N=C(O)C(=Cc2ccc(c(c2)(N+)(=O)(O))N(C)C)C(=O)N1c1ccc(c(c1)C)C
ZINC000006898083
ZINC06898083
ZINC6898083
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